N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 106063977

IUPACN-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C16H26N2O2S/c1-4-15(9-13-6-7-13)18-21(19,20)16-8-5-12(2)14(10-16)11-17-3/h5,8,10,13,15,17-18H,4,6-7,9,11H2,1-3H3
InChIKeyNRBKTMKQIDDEFG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.57
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106063977) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106063977
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(C)c(CNC)c1
InChIInChI=1S/C16H26N2O2S/c1-4-15(9-13-6-7-13)18-21(19,20)16-8-5-12(2)14(10-16)11-17-3/h5,8,10,13,15,17-18H,4,6-7,9,11H2,1-3H3
InChIKeyNRBKTMKQIDDEFG-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
CID 106063935
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133
4-methyl-3-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283858
4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106063977) is N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccc(C)c(CNC)c1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is NRBKTMKQIDDEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-15(9-13-6-7-13)18-21(19,20)16-8-5-12(2)14(10-16)11-17-3/h5,8,10,13,15,17-18H,4,6-7,9,11H2,1-3H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106063977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).