1-benzyl-4-(dimethylsulfamoylamino)piperidine

C14H23N3O2S — CID 11044707

IUPAC1-benzyl-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16(2)20(18,19)15-14-8-10-17(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyWTAHZWMPCOQJTF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.05
Rot. Bonds5

About 1-benzyl-4-(dimethylsulfamoylamino)piperidine

1-benzyl-4-(dimethylsulfamoylamino)piperidine (PubChem CID 11044707) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(dimethylsulfamoylamino)piperidine
PubChem CID11044707
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16(2)20(18,19)15-14-8-10-17(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyWTAHZWMPCOQJTF-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
1-benzyl-3-(dipropylsulfamoylamino)pyrrolidine
CID 42958012
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
CID 136532330
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylsulfamoylamino)piperidine?
The IUPAC name of 1-benzyl-4-(dimethylsulfamoylamino)piperidine (CID 11044707) is 1-benzyl-4-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for 1-benzyl-4-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for 1-benzyl-4-(dimethylsulfamoylamino)piperidine is CN(C)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(dimethylsulfamoylamino)piperidine?
The InChIKey is WTAHZWMPCOQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(2)20(18,19)15-14-8-10-17(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-4-(dimethylsulfamoylamino)piperidine?
1-benzyl-4-(dimethylsulfamoylamino)piperidine has a molecular weight of 297.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 11044707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).