4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide

C11H18N2O4S2 — CID 64631806

IUPAC4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H18N2O4S2/c1-9(8-18(2,14)15)13-19(16,17)11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyDRMRFGWBWYYTQA-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.14
Rot. Bonds6

About 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide

4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide (PubChem CID 64631806) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
PubChem CID64631806
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H18N2O4S2/c1-9(8-18(2,14)15)13-19(16,17)11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyDRMRFGWBWYYTQA-UHFFFAOYSA-N
XLogP-0.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631807
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
4-(aminomethyl)-N-[1-(1-hydroxycyclohexyl)propan-2-yl]benzenesulfonamide
CID 174529972
2-[[4-[4-(aminomethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 18914699
2-methyl-4-(1-methylsulfonylpropan-2-ylsulfamoyl)benzenecarbothioamide
CID 106920261
2-methyl-5-(1-methylsulfonylpropan-2-ylsulfamoyl)benzoic acid
CID 64630006
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945013
ethyl (2S)-2-[[4-(aminomethyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 54513375

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide (CID 64631806) is 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
The InChIKey is DRMRFGWBWYYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-9(8-18(2,14)15)13-19(16,17)11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide?
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64631806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).