N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine

C12H14N2O2S2 — CID 110631418

IUPACN-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
SMILESCNS(=O)(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H14N2O2S2/c1-13-18(15,16)14-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-8,13-14H,9H2,1H3
InChIKeyWXDGNRIRBIOMFS-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.97
Rot. Bonds5

About N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine

N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine (PubChem CID 110631418) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
PubChem CID110631418
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
SMILESCNS(=O)(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H14N2O2S2/c1-13-18(15,16)14-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-8,13-14H,9H2,1H3
InChIKeyWXDGNRIRBIOMFS-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
3-[(5-phenylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 110631430
1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
CID 110292520
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483
2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
CID 61220745
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine?
The IUPAC name of N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine (CID 110631418) is N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine.
What is the SMILES notation for N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine?
The canonical SMILES for N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine is CNS(=O)(=O)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine?
The InChIKey is WXDGNRIRBIOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-13-18(15,16)14-9-11-7-8-12(17-11)10-5-3-2-4-6-10/h2-8,13-14H,9H2,1H3.
What are the key properties of N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine?
N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine has a molecular weight of 282.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine is sourced from PubChem (CID 110631418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).