N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide

C15H27N3O4S — CID 95133490

IUPACN-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C1CCCC1
InChIInChI=1S/C15H27N3O4S/c1-11(19)16-14(12-6-3-4-7-12)15(20)18-9-5-8-13(10-18)17-23(2,21)22/h12-14,17H,3-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyILEFZOLJZVCOKI-UONOGXRCSA-N
MW345.47 g/mol
LogP0.22
Rot. Bonds5

About N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide

N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95133490) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID95133490
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC NameN-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C1CCCC1
InChIInChI=1S/C15H27N3O4S/c1-11(19)16-14(12-6-3-4-7-12)15(20)18-9-5-8-13(10-18)17-23(2,21)22/h12-14,17H,3-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyILEFZOLJZVCOKI-UONOGXRCSA-N
XLogP0.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide (CID 95133490) is N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)N[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C1CCCC1.
What is the InChIKey of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ILEFZOLJZVCOKI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-11(19)16-14(12-6-3-4-7-12)15(20)18-9-5-8-13(10-18)17-23(2,21)22/h12-14,17H,3-10H2,1-2H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95133490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).