1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide

C12H20N2O2S2 — CID 106079683

IUPAC1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
SMILESCSCC(C)NS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S2/c1-10(8-17-2)14-18(15,16)9-12-5-3-11(7-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyZKIJULCZGXGBGP-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.32
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide (PubChem CID 106079683) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
PubChem CID106079683
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
SMILESCSCC(C)NS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S2/c1-10(8-17-2)14-18(15,16)9-12-5-3-11(7-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyZKIJULCZGXGBGP-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106083889
1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
CID 65047605
1-[4-(ethylaminomethyl)phenyl]-N-(4-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106080227
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
1-[4-(aminomethyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 62117160
1-(2-fluoro-4-methylphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]methanesulfonamide
CID 99837019
1-(4-aminophenyl)-N-pent-4-yn-2-ylmethanesulfonamide
CID 113476946
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 61473582

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide (CID 106079683) is 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide is CSCC(C)NS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide?
The InChIKey is ZKIJULCZGXGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10(8-17-2)14-18(15,16)9-12-5-3-11(7-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 106079683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).