N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide

C15H25N3O2S — CID 106642118

IUPACN,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCN1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O2S/c1-17(2)21(19,20)15-9-7-14(8-10-15)18(3)12-13-6-4-5-11-16-13/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyOJXDTCYKALAUNS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.52
Rot. Bonds5

About N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide

N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 106642118) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
PubChem CID106642118
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCN1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O2S/c1-17(2)21(19,20)15-9-7-14(8-10-15)18(3)12-13-6-4-5-11-16-13/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyOJXDTCYKALAUNS-UHFFFAOYSA-N
XLogP1.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642160
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
5-[methyl(pyrrolidin-2-ylmethyl)amino]-2-nitrobenzonitrile
CID 106618500
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide (CID 106642118) is N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide is CN(CC1CCCCN1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is OJXDTCYKALAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)21(19,20)15-9-7-14(8-10-15)18(3)12-13-6-4-5-11-16-13/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 106642118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).