(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide

C15H24N4O3S — CID 95134126

IUPAC(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C15H24N4O3S/c1-12(13-6-8-16-9-7-13)18-15(20)19-10-4-3-5-14(19)11-17-23(2,21)22/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyCMVNBXRXXZFLJV-TZMCWYRMSA-N
MW340.45 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide

(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide (PubChem CID 95134126) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
PubChem CID95134126
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C15H24N4O3S/c1-12(13-6-8-16-9-7-13)18-15(20)19-10-4-3-5-14(19)11-17-23(2,21)22/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyCMVNBXRXXZFLJV-TZMCWYRMSA-N
XLogP1.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.26
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-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide (CID 95134126) is (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccncc1.
What is the InChIKey of (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide?
The InChIKey is CMVNBXRXXZFLJV-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12(13-6-8-16-9-7-13)18-15(20)19-10-4-3-5-14(19)11-17-23(2,21)22/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide?
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.26, 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-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95134126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).