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

C14H22N2O2S — CID 54884270

IUPACN-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(15-2)13-6-8-14(9-7-13)19(17,18)16(3)10-12-4-5-12/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyOSLKZJQTSIJXSD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.00
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 54884270) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID54884270
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)N(C)CC2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(15-2)13-6-8-14(9-7-13)19(17,18)16(3)10-12-4-5-12/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyOSLKZJQTSIJXSD-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22294222
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide (CID 54884270) is N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)N(C)CC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is OSLKZJQTSIJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(15-2)13-6-8-14(9-7-13)19(17,18)16(3)10-12-4-5-12/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide?
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54884270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).