2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide

C12H15N3O3S — CID 171458837

IUPAC2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)/C=C/[C@@H](c1ncc(C(N)=O)cn1)C1CC1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)5-4-10(8-2-3-8)12-14-6-9(7-15-12)11(13)16/h4-8,10H,2-3H2,1H3,(H2,13,16)/b5-4+/t10-/m1/s1
InChIKeyYKQGYVONFRUILF-ORAHPGNNSA-N
MW281.34 g/mol
LogP0.63
Rot. Bonds5

About 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide

2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide (PubChem CID 171458837) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide
PubChem CID171458837
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide
SMILESCS(=O)(=O)/C=C/[C@@H](c1ncc(C(N)=O)cn1)C1CC1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)5-4-10(8-2-3-8)12-14-6-9(7-15-12)11(13)16/h4-8,10H,2-3H2,1H3,(H2,13,16)/b5-4+/t10-/m1/s1
InChIKeyYKQGYVONFRUILF-ORAHPGNNSA-N
XLogP0.63
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide (CID 171458837) is 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide is CS(=O)(=O)/C=C/[C@@H](c1ncc(C(N)=O)cn1)C1CC1.
What is the InChIKey of 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide?
The InChIKey is YKQGYVONFRUILF-ORAHPGNNSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-19(17,18)5-4-10(8-2-3-8)12-14-6-9(7-15-12)11(13)16/h4-8,10H,2-3H2,1H3,(H2,13,16)/b5-4+/t10-/m1/s1.
What are the key properties of 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide?
2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 171458837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).