N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide

C13H20N2O2S — CID 43506803

IUPACN-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14-2)12-5-7-13(8-6-12)18(16,17)15-9-11-3-4-11/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyNJMSKZMNCFFCKD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.66
Rot. Bonds6

About N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide

N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 43506803) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID43506803
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14-2)12-5-7-13(8-6-12)18(16,17)15-9-11-3-4-11/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyNJMSKZMNCFFCKD-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
2-(cyclopropylmethylamino)-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]acetamide
CID 119750150
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide (CID 43506803) is N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is NJMSKZMNCFFCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(14-2)12-5-7-13(8-6-12)18(16,17)15-9-11-3-4-11/h5-8,10-11,14-15H,3-4,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide?
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).