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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Related Compounds

1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 155118953
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226

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).