N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide

C12H20N2O2S — CID 43506750

IUPACN-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H20N2O2S/c1-4-8-14-10(2)11-6-5-7-12(9-11)17(15,16)13-3/h5-7,9-10,13-14H,4,8H2,1-3H3
InChIKeyWQANZFARHWYMJH-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.66
Rot. Bonds6

About N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide

N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43506750) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43506750
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H20N2O2S/c1-4-8-14-10(2)11-6-5-7-12(9-11)17(15,16)13-3/h5-7,9-10,13-14H,4,8H2,1-3H3
InChIKeyWQANZFARHWYMJH-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
3-[(1S)-1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 95178250
3-[(1S)-1-[[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97103929
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
3-[1-[(2-chloroquinolin-3-yl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 75395134
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide (CID 43506750) is N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is WQANZFARHWYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-8-14-10(2)11-6-5-7-12(9-11)17(15,16)13-3/h5-7,9-10,13-14H,4,8H2,1-3H3.
What are the key properties of N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide?
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 256.37 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-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).