3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C14H24N2O2S2 — CID 115986124

IUPAC3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C(C)CSC)c1
InChIInChI=1S/C14H24N2O2S2/c1-5-14(15)12-7-6-8-13(9-12)20(17,18)16(3)11(2)10-19-4/h6-9,11,14H,5,10,15H2,1-4H3
InChIKeySRVKLTYZDDAHQW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.47
Rot. Bonds7

About 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 115986124) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID115986124
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C(C)CSC)c1
InChIInChI=1S/C14H24N2O2S2/c1-5-14(15)12-7-6-8-13(9-12)20(17,18)16(3)11(2)10-19-4/h6-9,11,14H,5,10,15H2,1-4H3
InChIKeySRVKLTYZDDAHQW-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzenecarbothioamide
CID 112659694
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112661418
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
4-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112661692
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
3-(chloromethyl)-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988218

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 115986124) is 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)N(C)C(C)CSC)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is SRVKLTYZDDAHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-5-14(15)12-7-6-8-13(9-12)20(17,18)16(3)11(2)10-19-4/h6-9,11,14H,5,10,15H2,1-4H3.
What are the key properties of 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115986124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).