N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide

C15H25N3O2S — CID 106094104

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCC(C)N(C)C2CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12(18(3)14-7-8-14)10-17-21(19,20)15-6-4-5-13(9-15)11-16-2/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyLYFFRIDOSWJPRP-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.17
Rot. Bonds8

About N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide

N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106094104) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106094104
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCC(C)N(C)C2CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12(18(3)14-7-8-14)10-17-21(19,20)15-6-4-5-13(9-15)11-16-2/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyLYFFRIDOSWJPRP-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106013834
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106057582
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
CID 103648398
3-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-2-methylbenzenesulfonamide
CID 106094144
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169
2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106013854
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide (CID 106094104) is N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCC(C)N(C)C2CC2)c1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is LYFFRIDOSWJPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(18(3)14-7-8-14)10-17-21(19,20)15-6-4-5-13(9-15)11-16-2/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106094104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).