1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine

C9H18N2O2S — CID 120585589

IUPAC1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
SMILESC=CCCS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H18N2O2S/c1-3-4-5-14(12,13)11-6-8(2)9(10)7-11/h3,8-9H,1,4-7,10H2,2H3
InChIKeyQYJWSQPJLQLNCX-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.17
Rot. Bonds4

About 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine

1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine (PubChem CID 120585589) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
PubChem CID120585589
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
SMILESC=CCCS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H18N2O2S/c1-3-4-5-14(12,13)11-6-8(2)9(10)7-11/h3,8-9H,1,4-7,10H2,2H3
InChIKeyQYJWSQPJLQLNCX-UHFFFAOYSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.17
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

(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585422
1-but-3-enylsulfonylpiperidin-4-amine
CID 119959235
(3aR,6aS)-5-but-3-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665265
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
CID 119974940
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
CID 119963888
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine (CID 120585589) is 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine is C=CCCS(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine?
The InChIKey is QYJWSQPJLQLNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-4-5-14(12,13)11-6-8(2)9(10)7-11/h3,8-9H,1,4-7,10H2,2H3.
What are the key properties of 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine?
1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine has a molecular weight of 218.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120585589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).