5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide

C13H18N4O2S2 — CID 106072041

IUPAC5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
SMILESCC(C)NCCc1ccc(S(=O)(=O)Nc2ncccn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10(2)14-9-6-11-4-5-12(20-11)21(18,19)17-13-15-7-3-8-16-13/h3-5,7-8,10,14H,6,9H2,1-2H3,(H,15,16,17)
InChIKeyWSERAQYNXGCJBY-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.88
Rot. Bonds7

About 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide

5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide (PubChem CID 106072041) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
PubChem CID106072041
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
SMILESCC(C)NCCc1ccc(S(=O)(=O)Nc2ncccn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10(2)14-9-6-11-4-5-12(20-11)21(18,19)17-13-15-7-3-8-16-13/h3-5,7-8,10,14H,6,9H2,1-2H3,(H,15,16,17)
InChIKeyWSERAQYNXGCJBY-UHFFFAOYSA-N
XLogP1.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
5-[2-(propan-2-ylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013449
N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106020076
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114135529
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
CID 114414151
1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 106072011
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807

Frequently Asked Questions

What is the IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide (CID 106072041) is 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide is CC(C)NCCc1ccc(S(=O)(=O)Nc2ncccn2)s1.
What is the InChIKey of 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The InChIKey is WSERAQYNXGCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-10(2)14-9-6-11-4-5-12(20-11)21(18,19)17-13-15-7-3-8-16-13/h3-5,7-8,10,14H,6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide?
5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106072041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).