(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide

C12H21N5OS — CID 7704583

IUPAC(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@@H](Sc1n[nH]c(N)n1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-8(19-12-14-11(13)15-16-12)10(18)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyQMSXVZMGYRZEQT-MRVPVSSYSA-N
MW283.40 g/mol
LogP1.66
Rot. Bonds4

About (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide

(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 7704583) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide
PubChem CID7704583
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@@H](Sc1n[nH]c(N)n1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-8(19-12-14-11(13)15-16-12)10(18)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyQMSXVZMGYRZEQT-MRVPVSSYSA-N
XLogP1.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide with MolForge

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Related Compounds

2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-cyclohexylacetamide
CID 2304193
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 2339773
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 2383058
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4137923
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 24818215
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 5060150
N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2342823
N,N-dicyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2391135
N-cyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 709291
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(azepan-1-yl)ethanone
CID 757552
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylacetamide
CID 2339775
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclooctylacetamide
CID 2341317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide (CID 7704583) is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide is C[C@@H](Sc1n[nH]c(N)n1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is QMSXVZMGYRZEQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8(19-12-14-11(13)15-16-12)10(18)17(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide?
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 7704583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).