1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide

C12H23N3O4S — CID 60944712

IUPAC1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O4S/c1-14-11(16)10-5-3-4-7-15(10)12(17)9(13)6-8-20(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyWIWDGKJHPGLUJH-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.12
Rot. Bonds5

About 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide

1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 60944712) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
PubChem CID60944712
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O4S/c1-14-11(16)10-5-3-4-7-15(10)12(17)9(13)6-8-20(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyWIWDGKJHPGLUJH-UHFFFAOYSA-N
XLogP-1.12
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide (CID 60944712) is 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is WIWDGKJHPGLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14-11(16)10-5-3-4-7-15(10)12(17)9(13)6-8-20(2,18)19/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide?
1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).