N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide

C12H13N3O2S2 — CID 154859263

IUPACN-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccsc1
InChIInChI=1S/C12H13N3O2S2/c16-19(17,11-3-4-18-8-11)15-10-6-13-12(14-7-10)5-9-1-2-9/h3-4,6-9,15H,1-2,5H2
InChIKeyGHOZYFQNFPDPAT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide

N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide (PubChem CID 154859263) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
PubChem CID154859263
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccsc1
InChIInChI=1S/C12H13N3O2S2/c16-19(17,11-3-4-18-8-11)15-10-6-13-12(14-7-10)5-9-1-2-9/h3-4,6-9,15H,1-2,5H2
InChIKeyGHOZYFQNFPDPAT-UHFFFAOYSA-N
XLogP2.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide (CID 154859263) is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide is O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccsc1.
What is the InChIKey of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The InChIKey is GHOZYFQNFPDPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c16-19(17,11-3-4-18-8-11)15-10-6-13-12(14-7-10)5-9-1-2-9/h3-4,6-9,15H,1-2,5H2.
What are the key properties of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 154859263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).