N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C19H31N5OS — CID 31160075

IUPACN-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(N2CCCCC2)n1C1CC1)NC1CCCCC1
InChIInChI=1S/C19H31N5OS/c25-17(20-15-7-3-1-4-8-15)11-14-26-19-22-21-18(24(19)16-9-10-16)23-12-5-2-6-13-23/h15-16H,1-14H2,(H,20,25)
InChIKeyHCSVSLJQAXWAQQ-UHFFFAOYSA-N
MW377.56 g/mol
LogP3.53
Rot. Bonds7

About N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 31160075) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID31160075
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC NameN-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(N2CCCCC2)n1C1CC1)NC1CCCCC1
InChIInChI=1S/C19H31N5OS/c25-17(20-15-7-3-1-4-8-15)11-14-26-19-22-21-18(24(19)16-9-10-16)23-12-5-2-6-13-23/h15-16H,1-14H2,(H,20,25)
InChIKeyHCSVSLJQAXWAQQ-UHFFFAOYSA-N
XLogP3.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 31160075) is N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is O=C(CCSc1nnc(N2CCCCC2)n1C1CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is HCSVSLJQAXWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c25-17(20-15-7-3-1-4-8-15)11-14-26-19-22-21-18(24(19)16-9-10-16)23-12-5-2-6-13-23/h15-16H,1-14H2,(H,20,25).
What are the key properties of N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 377.56 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 31160075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).