2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide

C12H25N3O3S — CID 24707630

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCCN1CCCC1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-15-7-4-5-10(15)9-14-12(16)11(13)6-8-19(2,17)18/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyBVEHIRPDMPECRB-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.65
Rot. Bonds7

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide (PubChem CID 24707630) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
PubChem CID24707630
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCCN1CCCC1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-15-7-4-5-10(15)9-14-12(16)11(13)6-8-19(2,17)18/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyBVEHIRPDMPECRB-UHFFFAOYSA-N
XLogP-0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
CID 55012024
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 53499006
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide (CID 24707630) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide is CCN1CCCC1CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is BVEHIRPDMPECRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-15-7-4-5-10(15)9-14-12(16)11(13)6-8-19(2,17)18/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 291.42 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 24707630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).