(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide

C13H25N3O4S — CID 95155057

IUPAC(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C13H25N3O4S/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)14-8-11-5-7-20-10-11/h11-12,15H,2-10H2,1H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyQEKOYGPHBWSDPR-NWDGAFQWSA-N
MW319.43 g/mol
LogP0.14
Rot. Bonds5

About (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide

(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 95155057) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
PubChem CID95155057
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C13H25N3O4S/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)14-8-11-5-7-20-10-11/h11-12,15H,2-10H2,1H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyQEKOYGPHBWSDPR-NWDGAFQWSA-N
XLogP0.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide (CID 95155057) is (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide is CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1CCOC1.
What is the InChIKey of (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is QEKOYGPHBWSDPR-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)14-8-11-5-7-20-10-11/h11-12,15H,2-10H2,1H3,(H,14,17)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide?
(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).