N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide

C13H23N5O3S — CID 125162500

IUPACN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nncn1C1CCCC1
InChIInChI=1S/C13H23N5O3S/c1-10(16-12(19)7-8-15-22(2,20)21)13-17-14-9-18(13)11-5-3-4-6-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyPHPLNLKCCUMDCB-SNVBAGLBSA-N
MW329.43 g/mol
LogP0.51
Rot. Bonds7

About N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide (PubChem CID 125162500) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide
PubChem CID125162500
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nncn1C1CCCC1
InChIInChI=1S/C13H23N5O3S/c1-10(16-12(19)7-8-15-22(2,20)21)13-17-14-9-18(13)11-5-3-4-6-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyPHPLNLKCCUMDCB-SNVBAGLBSA-N
XLogP0.51
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide (CID 125162500) is N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide is C[C@@H](NC(=O)CCNS(C)(=O)=O)c1nncn1C1CCCC1.
What is the InChIKey of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide?
The InChIKey is PHPLNLKCCUMDCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-10(16-12(19)7-8-15-22(2,20)21)13-17-14-9-18(13)11-5-3-4-6-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide?
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide has a molecular weight of 329.43 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 125162500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).