N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide

C14H23N3O2S — CID 60807414

IUPACN,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
SMILESCNC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-12-8-10-17(11-9-12)13-4-6-14(7-5-13)20(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyVSWMTBPWIUYQSF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.13
Rot. Bonds4

About N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide

N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide (PubChem CID 60807414) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
PubChem CID60807414
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
SMILESCNC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-12-8-10-17(11-9-12)13-4-6-14(7-5-13)20(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyVSWMTBPWIUYQSF-UHFFFAOYSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
4-(4-bromo-3-methylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114682728
(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 86869299
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668
tert-butyl 4-[1-[4-(dimethylsulfamoyl)phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 59178971
4-[3-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80672154
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608
N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120710079
4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide
CID 22969339
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylbenzenesulfonamide
CID 102683477
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide
CID 102683870
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide (CID 60807414) is N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide is CNC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide?
The InChIKey is VSWMTBPWIUYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-12-8-10-17(11-9-12)13-4-6-14(7-5-13)20(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide?
N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 60807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).