N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H20N6O2S — CID 4881534

IUPACN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N6O2S/c1-8(21-12-15-16-17-18(12)2)10(19)14-11(20)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20)
InChIKeyHUAKNKWUUZIHAK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.85
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4881534) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4881534
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N6O2S/c1-8(21-12-15-16-17-18(12)2)10(19)14-11(20)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20)
InChIKeyHUAKNKWUUZIHAK-UHFFFAOYSA-N
XLogP0.85
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-cyclohexyl-acetamide
CID 3212939
N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 16339977
N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 864617
Butanamide, N-cyclohexyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062252
N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfonylacetamide
CID 172447154
N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4817666
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51258562
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 133755121
N-cyclohexyl-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 1440821
N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 1440834
2-(1-methyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2630159
N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2634435

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 4881534) is N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is HUAKNKWUUZIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-8(21-12-15-16-17-18(12)2)10(19)14-11(20)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 312.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4881534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).