(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide

C9H21N3O2S — CID 115302268

IUPAC(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-4-6-11(2)15(13,14)12-7-5-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyLCJWMDHVZRQIAL-VIFPVBQESA-N
MW235.35 g/mol
LogP-0.00
Rot. Bonds5

About (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide

(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide (PubChem CID 115302268) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
PubChem CID115302268
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-4-6-11(2)15(13,14)12-7-5-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1
InChIKeyLCJWMDHVZRQIAL-VIFPVBQESA-N
XLogP-0.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide 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

3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
CID 119958974
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
(3R)-3-amino-N-benzyl-N-methylpyrrolidine-1-sulfonamide
CID 115301795
N-butyl-4a-hydroxy-N-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-sulfonamide
CID 81103069
1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
CID 86931198
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
CID 119989155

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide (CID 115302268) is (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is LCJWMDHVZRQIAL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-4-6-11(2)15(13,14)12-7-5-9(10)8-12/h9H,3-8,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide?
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115302268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).