1-benzyl-4-[methyl(sulfinato)amino]piperidine

C13H19N2O2S- — CID 59098116

IUPAC1-benzyl-4-[methyl(sulfinato)amino]piperidine
SMILESCN(C1CCN(Cc2ccccc2)CC1)S(=O)[O-]
InChIInChI=1S/C13H20N2O2S/c1-14(18(16)17)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)/p-1
InChIKeyWSQRMUCALHHMOY-UHFFFAOYSA-M
MW267.37 g/mol
LogP1.38
Rot. Bonds4

About 1-benzyl-4-[methyl(sulfinato)amino]piperidine

1-benzyl-4-[methyl(sulfinato)amino]piperidine (PubChem CID 59098116) has the molecular formula C13H19N2O2S- and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-benzyl-4-[methyl(sulfinato)amino]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[methyl(sulfinato)amino]piperidine
PubChem CID59098116
Molecular FormulaC13H19N2O2S-
Molecular Weight267.37 g/mol
Exact Mass267.12
IUPAC Name1-benzyl-4-[methyl(sulfinato)amino]piperidine
SMILESCN(C1CCN(Cc2ccccc2)CC1)S(=O)[O-]
InChIInChI=1S/C13H20N2O2S/c1-14(18(16)17)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)/p-1
InChIKeyWSQRMUCALHHMOY-UHFFFAOYSA-M
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[methyl(sulfinato)amino]piperidine?
The IUPAC name of 1-benzyl-4-[methyl(sulfinato)amino]piperidine (CID 59098116) is 1-benzyl-4-[methyl(sulfinato)amino]piperidine.
What is the SMILES notation for 1-benzyl-4-[methyl(sulfinato)amino]piperidine?
The canonical SMILES for 1-benzyl-4-[methyl(sulfinato)amino]piperidine is CN(C1CCN(Cc2ccccc2)CC1)S(=O)[O-].
What is the InChIKey of 1-benzyl-4-[methyl(sulfinato)amino]piperidine?
The InChIKey is WSQRMUCALHHMOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N2O2S/c1-14(18(16)17)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)/p-1.
What are the key properties of 1-benzyl-4-[methyl(sulfinato)amino]piperidine?
1-benzyl-4-[methyl(sulfinato)amino]piperidine has a molecular weight of 267.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[methyl(sulfinato)amino]piperidine is sourced from PubChem (CID 59098116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).