2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide

C18H31N5OS — CID 46685656

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC(Sc1nnnn1C1CCCCC1)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H31N5OS/c1-12-8-7-11-16(13(12)2)19-17(24)14(3)25-18-20-21-22-23(18)15-9-5-4-6-10-15/h12-16H,4-11H2,1-3H3,(H,19,24)
InChIKeyUMEAJDIWAQKUFG-UHFFFAOYSA-N
MW365.55 g/mol
LogP3.60
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 46685656) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID46685656
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC(Sc1nnnn1C1CCCCC1)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H31N5OS/c1-12-8-7-11-16(13(12)2)19-17(24)14(3)25-18-20-21-22-23(18)15-9-5-4-6-10-15/h12-16H,4-11H2,1-3H3,(H,19,24)
InChIKeyUMEAJDIWAQKUFG-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021
N-(2,3-dimethylcyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4828172
(2R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 11926010
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11935740
(2R)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11941064
N-(2,3-dimethylcyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4828596
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 11939249
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932492
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98604764
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124726060
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 11918299

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide (CID 46685656) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide is CC(Sc1nnnn1C1CCCCC1)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is UMEAJDIWAQKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-12-8-7-11-16(13(12)2)19-17(24)14(3)25-18-20-21-22-23(18)15-9-5-4-6-10-15/h12-16H,4-11H2,1-3H3,(H,19,24).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 365.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 46685656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).