N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide

C10H20N2O2S — CID 86807107

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1CCCN1C
InChIInChI=1S/C10H20N2O2S/c1-3-4-8-15(13,14)11-9-10-6-5-7-12(10)2/h3,10-11H,1,4-9H2,2H3
InChIKeyKVWBXVQDPJEBOD-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.58
Rot. Bonds6

About N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide

N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide (PubChem CID 86807107) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
PubChem CID86807107
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1CCCN1C
InChIInChI=1S/C10H20N2O2S/c1-3-4-8-15(13,14)11-9-10-6-5-7-12(10)2/h3,10-11H,1,4-9H2,2H3
InChIKeyKVWBXVQDPJEBOD-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]but-3-ene-1-sulfonamide
CID 97820017
(E)-2-[(2S)-1-ethylpyrrolidin-2-yl]ethenesulfonamide
CID 154997138
(E)-2-[(2R)-1-ethylpyrrolidin-2-yl]ethenesulfonamide
CID 157020624
1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine
CID 166904278
(E)-2-(1-ethylpyrrolidin-2-yl)ethenesulfonamide
CID 175168161
(Z,2R)-4-[(3S)-1-methylpyrrolidin-3-yl]sulfonylbut-3-en-2-amine
CID 176264070
(Z,2R)-4-[(3R)-1-methylpyrrolidin-3-yl]sulfonylbut-3-en-2-amine
CID 176598779
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
CID 16794699
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide
CID 54952393
N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 60650117
N-[(1-ethylpyrrolidin-2-yl)methyl]ethanesulfonamide
CID 60650352
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 60909976

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide (CID 86807107) is N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCC1CCCN1C.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The InChIKey is KVWBXVQDPJEBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-4-8-15(13,14)11-9-10-6-5-7-12(10)2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 86807107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).