(1-but-3-enylsulfonylpiperidin-4-yl)methanamine

C10H20N2O2S — CID 119963888

IUPAC(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
SMILESC=CCCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-8-15(13,14)12-6-4-10(9-11)5-7-12/h2,10H,1,3-9,11H2
InChIKeyRWFKMPVHPDNKPQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.56
Rot. Bonds5

About (1-but-3-enylsulfonylpiperidin-4-yl)methanamine

(1-but-3-enylsulfonylpiperidin-4-yl)methanamine (PubChem CID 119963888) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (1-but-3-enylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
PubChem CID119963888
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
SMILESC=CCCS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-8-15(13,14)12-6-4-10(9-11)5-7-12/h2,10H,1,3-9,11H2
InChIKeyRWFKMPVHPDNKPQ-UHFFFAOYSA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.56
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-amine
CID 119959235
1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
CID 119974940
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
tert-butyl 4-[3-(1-but-3-enylsulfonylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 142200983
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
CID 120585589
1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one
CID 158540238
(S)-(1-but-3-enylsulfonylpiperidin-4-yl)-(4-chlorophenyl)methanol
CID 97239330

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (1-but-3-enylsulfonylpiperidin-4-yl)methanamine (CID 119963888) is (1-but-3-enylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-but-3-enylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-but-3-enylsulfonylpiperidin-4-yl)methanamine is C=CCCS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of (1-but-3-enylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is RWFKMPVHPDNKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-3-8-15(13,14)12-6-4-10(9-11)5-7-12/h2,10H,1,3-9,11H2.
What are the key properties of (1-but-3-enylsulfonylpiperidin-4-yl)methanamine?
(1-but-3-enylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 0.56, 5 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-yl)methanamine is sourced from PubChem (CID 119963888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).