N-(methylsulfamoyl)-1-phenylmethanamine

C8H12N2O2S — CID 20676291

IUPACN-(methylsulfamoyl)-1-phenylmethanamine
SMILESCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C8H12N2O2S/c1-9-13(11,12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyKEKCBMWGXJQRTR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.24
Rot. Bonds4

About N-(methylsulfamoyl)-1-phenylmethanamine

N-(methylsulfamoyl)-1-phenylmethanamine (PubChem CID 20676291) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(methylsulfamoyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(methylsulfamoyl)-1-phenylmethanamine
PubChem CID20676291
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(methylsulfamoyl)-1-phenylmethanamine
SMILESCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C8H12N2O2S/c1-9-13(11,12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyKEKCBMWGXJQRTR-UHFFFAOYSA-N
XLogP0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
CID 70601747
CID 70601747
benzylsulfamic acid;ethane
CID 154691965
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
sodium N-benzylsulfamate
CID 23702294
N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272
N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
CID 110631418
N-benzyl-1-bromomethanesulfonamide
CID 75373678
N-benzyl-1,1-difluoroethanesulfonamide
CID 58435981
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)-1-phenylmethanamine?
The IUPAC name of N-(methylsulfamoyl)-1-phenylmethanamine (CID 20676291) is N-(methylsulfamoyl)-1-phenylmethanamine.
What is the SMILES notation for N-(methylsulfamoyl)-1-phenylmethanamine?
The canonical SMILES for N-(methylsulfamoyl)-1-phenylmethanamine is CNS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(methylsulfamoyl)-1-phenylmethanamine?
The InChIKey is KEKCBMWGXJQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-9-13(11,12)10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of N-(methylsulfamoyl)-1-phenylmethanamine?
N-(methylsulfamoyl)-1-phenylmethanamine has a molecular weight of 200.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)-1-phenylmethanamine is sourced from PubChem (CID 20676291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).