2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide

C12H14N4O2S2 — CID 62163890

IUPAC2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cccc(SC)c2)cn1
InChIInChI=1S/C12H14N4O2S2/c1-13-12-14-7-11(8-15-12)20(17,18)16-9-4-3-5-10(6-9)19-2/h3-8,16H,1-2H3,(H,13,14,15)
InChIKeyMHHLGINXDNKFDG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.04
Rot. Bonds5

About 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide

2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide (PubChem CID 62163890) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
PubChem CID62163890
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cccc(SC)c2)cn1
InChIInChI=1S/C12H14N4O2S2/c1-13-12-14-7-11(8-15-12)20(17,18)16-9-4-3-5-10(6-9)19-2/h3-8,16H,1-2H3,(H,13,14,15)
InChIKeyMHHLGINXDNKFDG-UHFFFAOYSA-N
XLogP2.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
CID 62164043
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
5-[(3-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613978
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 62164045
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696922
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
2-(methylamino)-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62145901

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide (CID 62163890) is 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2cccc(SC)c2)cn1.
What is the InChIKey of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is MHHLGINXDNKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-13-12-14-7-11(8-15-12)20(17,18)16-9-4-3-5-10(6-9)19-2/h3-8,16H,1-2H3,(H,13,14,15).
What are the key properties of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide?
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62163890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).