N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

C13H18N4O2S2 — CID 62158246

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)c2cc(C)sc2C)cn1
InChIInChI=1S/C13H18N4O2S2/c1-8-5-12(10(3)20-8)9(2)17-21(18,19)11-6-15-13(14-4)16-7-11/h5-7,9,17H,1-4H3,(H,14,15,16)
InChIKeyIBADBGASVCJDBT-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.24
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62158246) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62158246
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NC(C)c2cc(C)sc2C)cn1
InChIInChI=1S/C13H18N4O2S2/c1-8-5-12(10(3)20-8)9(2)17-21(18,19)11-6-15-13(14-4)16-7-11/h5-7,9,17H,1-4H3,(H,14,15,16)
InChIKeyIBADBGASVCJDBT-UHFFFAOYSA-N
XLogP2.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62158246) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NC(C)c2cc(C)sc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is IBADBGASVCJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-8-5-12(10(3)20-8)9(2)17-21(18,19)11-6-15-13(14-4)16-7-11/h5-7,9,17H,1-4H3,(H,14,15,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62158246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).