N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide

C14H25N5O3S — CID 167813448

IUPACN-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C14H25N5O3S/c1-3-11(2)15-14(20)10-23(21,22)9-13-16-17-18-19(13)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,20)
InChIKeyBHJDRJMBZXYUDB-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.01
Rot. Bonds7

About N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide

N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide (PubChem CID 167813448) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide
PubChem CID167813448
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C14H25N5O3S/c1-3-11(2)15-14(20)10-23(21,22)9-13-16-17-18-19(13)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,20)
InChIKeyBHJDRJMBZXYUDB-UHFFFAOYSA-N
XLogP1.01
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 94021052
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole
CID 167879706
(2R)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-(2-methylbutan-2-yl)propanamide
CID 94021049
1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone
CID 78852565
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
2-[(4-aminophenyl)methylsulfonyl]-N-butan-2-ylacetamide
CID 82177625
(2S)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51947031
3-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]butanoic acid
CID 81048225
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51129413

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide (CID 167813448) is N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide is CCC(C)NC(=O)CS(=O)(=O)Cc1nnnn1C1CCCCC1.
What is the InChIKey of N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide?
The InChIKey is BHJDRJMBZXYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-3-11(2)15-14(20)10-23(21,22)9-13-16-17-18-19(13)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,20).
What are the key properties of N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide?
N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 167813448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).