N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

C13H20N2O2S — CID 47813755

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-3-7-13(8-4-11)18(16,17)14-9-10-15(2)12-5-6-12/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyVVHMAHBVPOGGBO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.37
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 47813755) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
PubChem CID47813755
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-3-7-13(8-4-11)18(16,17)14-9-10-15(2)12-5-6-12/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyVVHMAHBVPOGGBO-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (CID 47813755) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is VVHMAHBVPOGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-3-7-13(8-4-11)18(16,17)14-9-10-15(2)12-5-6-12/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 47813755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).