N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide

C16H24N2OS — CID 142606370

IUPACN-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)20(19)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyWTWYLOBNYIBKGJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.19
Rot. Bonds3

About N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide

N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 142606370) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID142606370
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)20(19)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyWTWYLOBNYIBKGJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-4-tert-butylpiperazine
CID 3591937
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
1-benzylpyrrolidine;propane
CID 143692089
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
1-benzyl-1,4-diazepan-5-one;1-methyl-1,4-diazepan-5-one
CID 91058737
2-(1-benzylpiperidin-4-ylidene)ethanamine
CID 63970705
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide
CID 118895796

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide (CID 142606370) is N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is WTWYLOBNYIBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,3)20(19)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide?
N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 292.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142606370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).