1-but-3-enylsulfonylpiperidin-4-amine

C9H18N2O2S — CID 119959235

IUPAC1-but-3-enylsulfonylpiperidin-4-amine
SMILESC=CCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h2,9H,1,3-8,10H2
InChIKeyFITMUHQATJGNDA-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.32
Rot. Bonds4

About 1-but-3-enylsulfonylpiperidin-4-amine

1-but-3-enylsulfonylpiperidin-4-amine (PubChem CID 119959235) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-but-3-enylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-but-3-enylsulfonylpiperidin-4-amine
PubChem CID119959235
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-but-3-enylsulfonylpiperidin-4-amine
SMILESC=CCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h2,9H,1,3-8,10H2
InChIKeyFITMUHQATJGNDA-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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

(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
CID 119963888
1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
CID 119974940
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
CID 120585589
tert-butyl 4-[3-(1-but-3-enylsulfonylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 142200983
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
(S)-(1-but-3-enylsulfonylpiperidin-4-yl)-(4-chlorophenyl)methanol
CID 97239330
(3aR,6aS)-5-but-3-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665265
1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(3-prop-2-ynoxypropylsulfonyl)piperidin-4-amine
CID 177052766

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylsulfonylpiperidin-4-amine?
The IUPAC name of 1-but-3-enylsulfonylpiperidin-4-amine (CID 119959235) is 1-but-3-enylsulfonylpiperidin-4-amine.
What is the SMILES notation for 1-but-3-enylsulfonylpiperidin-4-amine?
The canonical SMILES for 1-but-3-enylsulfonylpiperidin-4-amine is C=CCCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-but-3-enylsulfonylpiperidin-4-amine?
The InChIKey is FITMUHQATJGNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-3-8-14(12,13)11-6-4-9(10)5-7-11/h2,9H,1,3-8,10H2.
What are the key properties of 1-but-3-enylsulfonylpiperidin-4-amine?
1-but-3-enylsulfonylpiperidin-4-amine has a molecular weight of 218.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylsulfonylpiperidin-4-amine is sourced from PubChem (CID 119959235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).