2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C14H23N5O3S — CID 94021052

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1nnnn1C1CC1
InChIInChI=1S/C14H23N5O3S/c1-10-4-2-3-5-12(10)15-14(20)9-23(21,22)8-13-16-17-18-19(13)11-6-7-11/h10-12H,2-9H2,1H3,(H,15,20)/t10-,12+/m1/s1
InChIKeyQZASFFSZCAHSSS-PWSUYJOCSA-N
MW341.44 g/mol
LogP0.62
Rot. Bonds6

About 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 94021052) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID94021052
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1nnnn1C1CC1
InChIInChI=1S/C14H23N5O3S/c1-10-4-2-3-5-12(10)15-14(20)9-23(21,22)8-13-16-17-18-19(13)11-6-7-11/h10-12H,2-9H2,1H3,(H,15,20)/t10-,12+/m1/s1
InChIKeyQZASFFSZCAHSSS-PWSUYJOCSA-N
XLogP0.62
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide
CID 167813448
N-[(1R,2S)-2-methylcyclohexyl]-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetamide
CID 51936038
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 94178566
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 126802183
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 125419977
1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone
CID 78852565
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
CID 94027180
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
CID 94021049
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242716

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 94021052) is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1nnnn1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is QZASFFSZCAHSSS-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-10-4-2-3-5-12(10)15-14(20)9-23(21,22)8-13-16-17-18-19(13)11-6-7-11/h10-12H,2-9H2,1H3,(H,15,20)/t10-,12+/m1/s1.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 94021052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).