(1-benzylsulfonylpiperidin-4-yl)methanamine

C13H20N2O2S — CID 43605269

IUPAC(1-benzylsulfonylpiperidin-4-yl)methanamine
SMILESNCC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c14-10-12-6-8-15(9-7-12)18(16,17)11-13-4-2-1-3-5-13/h1-5,12H,6-11,14H2
InChIKeyNTLIIISMGGUUPC-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.19
Rot. Bonds4

About (1-benzylsulfonylpiperidin-4-yl)methanamine

(1-benzylsulfonylpiperidin-4-yl)methanamine (PubChem CID 43605269) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (1-benzylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzylsulfonylpiperidin-4-yl)methanamine
PubChem CID43605269
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(1-benzylsulfonylpiperidin-4-yl)methanamine
SMILESNCC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c14-10-12-6-8-15(9-7-12)18(16,17)11-13-4-2-1-3-5-13/h1-5,12H,6-11,14H2
InChIKeyNTLIIISMGGUUPC-UHFFFAOYSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 119963921
methyl 3-[[4-(aminomethyl)piperidin-1-yl]sulfonylmethyl]benzoate;hydrochloride
CID 119964023
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
CID 110639138
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol
CID 43133135

Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (1-benzylsulfonylpiperidin-4-yl)methanamine (CID 43605269) is (1-benzylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-benzylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-benzylsulfonylpiperidin-4-yl)methanamine is NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is NTLIIISMGGUUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-10-12-6-8-15(9-7-12)18(16,17)11-13-4-2-1-3-5-13/h1-5,12H,6-11,14H2.
What are the key properties of (1-benzylsulfonylpiperidin-4-yl)methanamine?
(1-benzylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 43605269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).