3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C16H27N5O3S — CID 120642177

IUPAC3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H27N5O3S/c1-21-16(19-15(20-21)12-6-9-17-10-7-12)18-14(22)8-11-25(23,24)13-4-2-3-5-13/h12-13,17H,2-11H2,1H3,(H,18,19,20,22)
InChIKeyRGFKAFLQSSCRQU-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.97
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120642177) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120642177
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H27N5O3S/c1-21-16(19-15(20-21)12-6-9-17-10-7-12)18-14(22)8-11-25(23,24)13-4-2-3-5-13/h12-13,17H,2-11H2,1H3,(H,18,19,20,22)
InChIKeyRGFKAFLQSSCRQU-UHFFFAOYSA-N
XLogP0.97
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120642177) is 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is Cn1nc(C2CCNCC2)nc1NC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is RGFKAFLQSSCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-21-16(19-15(20-21)12-6-9-17-10-7-12)18-14(22)8-11-25(23,24)13-4-2-3-5-13/h12-13,17H,2-11H2,1H3,(H,18,19,20,22).
What are the key properties of 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120642177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).