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

C11H18N4OS — CID 18777204

IUPACN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nncn1C)C(=O)NC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyWRKOTTIFRNPGQS-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.35
Rot. Bonds4

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

N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 18777204) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID18777204
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nncn1C)C(=O)NC1CCCC1
InChIInChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyWRKOTTIFRNPGQS-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 18777204) is N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(Sc1nncn1C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is WRKOTTIFRNPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(17-11-14-12-7-15(11)2)10(16)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 254.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 18777204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).