N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide

C9H18N2O2S — CID 146211909

IUPACN-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(CC)C1
InChIInChI=1S/C9H18N2O2S/c1-3-11-6-5-9(8-11)7-10-14(12,13)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyLDOJQLZAGMTIHZ-SECBINFHSA-N
MW218.32 g/mol
LogP0.39
Rot. Bonds5

About N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211909) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211909
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(CC)C1
InChIInChI=1S/C9H18N2O2S/c1-3-11-6-5-9(8-11)7-10-14(12,13)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyLDOJQLZAGMTIHZ-SECBINFHSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide 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

N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210587
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[(3S)-1-(3,5-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211417
N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210592
N-[[(3S)-1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210524

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146211909) is N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(CC)C1.
What is the InChIKey of N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is LDOJQLZAGMTIHZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-11-6-5-9(8-11)7-10-14(12,13)4-2/h4,9-10H,2-3,5-8H2,1H3/t9-/m1/s1.
What are the key properties of N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).