N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C16H26N2O2S — CID 79116752

IUPACN,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-12-5-6-13(2)16(11-12)21(19,20)18(4)15-9-7-14(17-3)8-10-15/h5-6,11,14-15,17H,7-10H2,1-4H3
InChIKeyHYNWZHIFEDRENP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.45
Rot. Bonds4

About N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79116752) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79116752
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-12-5-6-13(2)16(11-12)21(19,20)18(4)15-9-7-14(17-3)8-10-15/h5-6,11,14-15,17H,7-10H2,1-4H3
InChIKeyHYNWZHIFEDRENP-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79120226
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79116752) is N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is HYNWZHIFEDRENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-5-6-13(2)16(11-12)21(19,20)18(4)15-9-7-14(17-3)8-10-15/h5-6,11,14-15,17H,7-10H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79116752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).