1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride

C11H25ClN2O2S — CID 119960991

IUPAC1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-4-8-16(14,15)13-7-5-6-11(10-13)9-12-2;/h11-12H,3-10H2,1-2H3;1H
InChIKeyXHVQOUBAZFCSDV-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.47
Rot. Bonds6

About 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride

1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 119960991) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID119960991
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-4-8-16(14,15)13-7-5-6-11(10-13)9-12-2;/h11-12H,3-10H2,1-2H3;1H
InChIKeyXHVQOUBAZFCSDV-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 83045255

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride (CID 119960991) is 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride is CCCCS(=O)(=O)N1CCCC(CNC)C1.Cl.
What is the InChIKey of 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is XHVQOUBAZFCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-3-4-8-16(14,15)13-7-5-6-11(10-13)9-12-2;/h11-12H,3-10H2,1-2H3;1H.
What are the key properties of 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride?
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119960991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).