(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C10H16N4OS — CID 8706489

IUPAC(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@H](Sc1ncn[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C10H16N4OS/c1-7(16-10-11-6-12-14-10)9(15)13-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14)/t7-/m0/s1
InChIKeyRWMXUABLMGRURM-ZETCQYMHSA-N
MW240.33 g/mol
LogP1.34
Rot. Bonds4

About (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 8706489) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID8706489
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@H](Sc1ncn[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C10H16N4OS/c1-7(16-10-11-6-12-14-10)9(15)13-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14)/t7-/m0/s1
InChIKeyRWMXUABLMGRURM-ZETCQYMHSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 8706489) is (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is C[C@H](Sc1ncn[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is RWMXUABLMGRURM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(16-10-11-6-12-14-10)9(15)13-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14)/t7-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
(2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 8706489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).