(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide

C14H29N3O3S — CID 94014919

IUPAC(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N(C)C
InChIInChI=1S/C14H29N3O3S/c1-11(2)13(16(3)4)10-15-14(18)12-8-6-7-9-17(12)21(5,19)20/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyGVTVUWKGVHZKNS-STQMWFEESA-N
MW319.47 g/mol
LogP0.50
Rot. Bonds6

About (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide

(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 94014919) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID94014919
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N(C)C
InChIInChI=1S/C14H29N3O3S/c1-11(2)13(16(3)4)10-15-14(18)12-8-6-7-9-17(12)21(5,19)20/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m0/s1
InChIKeyGVTVUWKGVHZKNS-STQMWFEESA-N
XLogP0.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 94014919) is (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide is CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)N(C)C.
What is the InChIKey of (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is GVTVUWKGVHZKNS-STQMWFEESA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-11(2)13(16(3)4)10-15-14(18)12-8-6-7-9-17(12)21(5,19)20/h11-13H,6-10H2,1-5H3,(H,15,18)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94014919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).