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

C9H16N2O3S — CID 146211914

IUPACN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1
InChIInChI=1S/C9H16N2O3S/c1-3-15(13,14)10-6-9-4-5-11(7-9)8(2)12/h3,9-10H,1,4-7H2,2H3/t9-/m1/s1
InChIKeyXBUIWEFDWSJHHQ-SECBINFHSA-N
MW232.30 g/mol
LogP-0.08
Rot. Bonds4

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

N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211914) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211914
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1
InChIInChI=1S/C9H16N2O3S/c1-3-15(13,14)10-6-9-4-5-11(7-9)8(2)12/h3,9-10H,1,4-7H2,2H3/t9-/m1/s1
InChIKeyXBUIWEFDWSJHHQ-SECBINFHSA-N
XLogP-0.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210524
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
N-[[(3S)-1-(3,5-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211417
N-[[1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211753
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
N-[[(3S)-1-(2,6-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211405
N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210341
N-[[1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210390
N-[[(3S)-1-[4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210694
N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211363
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
N-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210343

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146211914) is N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1.
What is the InChIKey of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is XBUIWEFDWSJHHQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-15(13,14)10-6-9-4-5-11(7-9)8(2)12/h3,9-10H,1,4-7H2,2H3/t9-/m1/s1.
What are the key properties of N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).