4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine

C10H22N2O2S — CID 61456479

IUPAC4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCC1CCCCN1S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O2S/c1-10-6-2-4-8-12(10)15(13,14)9-5-3-7-11/h10H,2-9,11H2,1H3
InChIKeyLJHVXRKTFMEZJV-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.93
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine

4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine (PubChem CID 61456479) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
PubChem CID61456479
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
SMILESCC1CCCCN1S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O2S/c1-10-6-2-4-8-12(10)15(13,14)9-5-3-7-11/h10H,2-9,11H2,1H3
InChIKeyLJHVXRKTFMEZJV-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid
CID 43209512
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
CID 43136981
1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 54988855
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
1-(3-chlorobutylsulfonyl)-2-methylpyrrolidine
CID 13468222

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine (CID 61456479) is 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine is CC1CCCCN1S(=O)(=O)CCCCN.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine?
The InChIKey is LJHVXRKTFMEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10-6-2-4-8-12(10)15(13,14)9-5-3-7-11/h10H,2-9,11H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine?
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 61456479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).