1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide

C15H23N7O2S — CID 70605321

IUPAC1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide
SMILESCC1(C)S[C@@H]2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1c1nn[nH]n1
InChIInChI=1S/C15H23N7O2S/c1-14(2)9(10-18-20-21-19-10)22-11(23)8(12(22)25-14)17-13(24)15(16)6-4-3-5-7-15/h8-9,12H,3-7,16H2,1-2H3,(H,17,24)(H,18,19,20,21)/t8?,9?,12-/m1/s1
InChIKeyWHGIIJPARIADKI-SHVIVCPWSA-N
MW365.46 g/mol
LogP0.08
Rot. Bonds3

About 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide

1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide (PubChem CID 70605321) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide
PubChem CID70605321
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC Name1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide
SMILESCC1(C)S[C@@H]2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1c1nn[nH]n1
InChIInChI=1S/C15H23N7O2S/c1-14(2)9(10-18-20-21-19-10)22-11(23)8(12(22)25-14)17-13(24)15(16)6-4-3-5-7-15/h8-9,12H,3-7,16H2,1-2H3,(H,17,24)(H,18,19,20,21)/t8?,9?,12-/m1/s1
InChIKeyWHGIIJPARIADKI-SHVIVCPWSA-N
XLogP0.08
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(1-aminoethyl)phenyl]-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide
CID 70605252
N'-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylpropanediamide
CID 70605159
2-amino-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(4-hydroxyphenyl)acetamide;trihydrate
CID 70604912
2-[3-(2-aminoethyl)phenyl]-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide
CID 70605158
2-amino-2-(3,4-dichlorophenyl)-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide
CID 54036007
2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxo-1-phenylethanesulfonic acid
CID 54068741
[2-[[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxoethyl] N,N'-diethylcarbamimidothioate
CID 70626081
N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(1,3-dioxoisoindol-2-yl)-2-phenylacetamide
CID 54508899
2-[(2-chloroacetyl)carbamoylamino]-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 54562285
2-butoxy-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]naphthalene-1-carboxamide
CID 70604790
2-[(2-chloroacetyl)carbamoylamino]-N-[(5S,6R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 22809565
4-(diaminomethylideneamino)-N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxo-1-phenylethyl]benzamide
CID 22805560

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide (CID 70605321) is 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide is CC1(C)S[C@@H]2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1c1nn[nH]n1.
What is the InChIKey of 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide?
The InChIKey is WHGIIJPARIADKI-SHVIVCPWSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-14(2)9(10-18-20-21-19-10)22-11(23)8(12(22)25-14)17-13(24)15(16)6-4-3-5-7-15/h8-9,12H,3-7,16H2,1-2H3,(H,17,24)(H,18,19,20,21)/t8?,9?,12-/m1/s1.
What are the key properties of 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide?
1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70605321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).