(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide

C12H21N5OS — CID 8949311

IUPAC(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide
SMILESC[C@@H](Sc1nncn1N)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-16-14-8-17(12)13)11(18)15-10-6-4-2-3-5-7-10/h8-10H,2-7,13H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyNOWONZGZJVGPBT-SECBINFHSA-N
MW283.40 g/mol
LogP1.31
Rot. Bonds4

About (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide

(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide (PubChem CID 8949311) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide
PubChem CID8949311
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide
SMILESC[C@@H](Sc1nncn1N)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-16-14-8-17(12)13)11(18)15-10-6-4-2-3-5-7-10/h8-10H,2-7,13H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyNOWONZGZJVGPBT-SECBINFHSA-N
XLogP1.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2342823
N-cyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 709291
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylacetamide
CID 2339775
N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 45182272
N-cycloheptyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)propanamide
CID 16353539
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 859352
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 859353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide?
The IUPAC name of (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide (CID 8949311) is (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide.
What is the SMILES notation for (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide?
The canonical SMILES for (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide is C[C@@H](Sc1nncn1N)C(=O)NC1CCCCCC1.
What is the InChIKey of (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide?
The InChIKey is NOWONZGZJVGPBT-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(19-12-16-14-8-17(12)13)11(18)15-10-6-4-2-3-5-7-10/h8-10H,2-7,13H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide?
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide is sourced from PubChem (CID 8949311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).