N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide

C13H21N3O2S — CID 94450668

IUPACN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C13H21N3O2S/c1-11-10-16(9-8-14-11)12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyYXBIYPNCCJJDJU-LLVKDONJSA-N
MW283.40 g/mol
LogP0.74
Rot. Bonds3

About N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide

N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide (PubChem CID 94450668) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
PubChem CID94450668
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
SMILESC[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CCN1
InChIInChI=1S/C13H21N3O2S/c1-11-10-16(9-8-14-11)12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyYXBIYPNCCJJDJU-LLVKDONJSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
4-(4-bromo-3-methylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114682728
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
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-(3-methylpiperazin-1-yl)aniline
CID 23287543
N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
CID 60807414
4-[3-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80672154
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
4-(3-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466120
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine
CID 139425716

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide (CID 94450668) is N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide is C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CCN1.
What is the InChIKey of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide?
The InChIKey is YXBIYPNCCJJDJU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-10-16(9-8-14-11)12-4-6-13(7-5-12)19(17,18)15(2)3/h4-7,11,14H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide?
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 94450668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).