3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide

C10H23N3O2S — CID 60910513

IUPAC3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCN)C1
InChIInChI=1S/C10H23N3O2S/c1-2-13-6-4-10(9-13)8-12-16(14,15)7-3-5-11/h10,12H,2-9,11H2,1H3
InChIKeyYFRFZWRGTDJWBZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.40
Rot. Bonds7

About 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 60910513) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
PubChem CID60910513
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)CCCN)C1
InChIInChI=1S/C10H23N3O2S/c1-2-13-6-4-10(9-13)8-12-16(14,15)7-3-5-11/h10,12H,2-9,11H2,1H3
InChIKeyYFRFZWRGTDJWBZ-UHFFFAOYSA-N
XLogP-0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-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

4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
CID 114134633
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
CID 60855317
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
CID 54963947

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide (CID 60910513) is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide is CCN1CCC(CNS(=O)(=O)CCCN)C1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is YFRFZWRGTDJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-2-13-6-4-10(9-13)8-12-16(14,15)7-3-5-11/h10,12H,2-9,11H2,1H3.
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide?
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 60910513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).