(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C13H22N4OS — CID 7514156

IUPAC(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-10(19-13-16-15-9-17(13)2)12(18)14-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyUYMVVSIBMYSMKO-SNVBAGLBSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds5

About (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 7514156) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID7514156
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nncn1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N4OS/c1-10(19-13-16-15-9-17(13)2)12(18)14-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyUYMVVSIBMYSMKO-SNVBAGLBSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-(4-methylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16329958
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3188532
1-(4-Methylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2350523
N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide
CID 155554172
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4878913
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 55523947
N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4814617
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 45178988

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 7514156) is (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C[C@@H](Sc1nncn1C)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is UYMVVSIBMYSMKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(19-13-16-15-9-17(13)2)12(18)14-8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,14,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 7514156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).