1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine

C14H22N2O2S — CID 114498856

IUPAC1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)Cc2ccccc2)CC1C
InChIInChI=1S/C14H22N2O2S/c1-12-10-16(9-8-14(12)15-2)19(17,18)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyXTRPIOJORLTGTI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds4

About 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine

1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine (PubChem CID 114498856) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
PubChem CID114498856
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)Cc2ccccc2)CC1C
InChIInChI=1S/C14H22N2O2S/c1-12-10-16(9-8-14(12)15-2)19(17,18)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyXTRPIOJORLTGTI-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 114449186
N,3-dimethyl-1-phenylmethoxypiperidin-4-amine
CID 130653478
4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
3-(benzenesulfonyl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 90584961
1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
CID 79187487

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine (CID 114498856) is 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine is CNC1CCN(S(=O)(=O)Cc2ccccc2)CC1C.
What is the InChIKey of 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine?
The InChIKey is XTRPIOJORLTGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-10-16(9-8-14(12)15-2)19(17,18)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine?
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine has a molecular weight of 282.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114498856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).