3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide

C12H22N4OS — CID 55071062

IUPAC3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCc1cc(SCC(C)(NC(C)C)C(N)=O)n(C)n1
InChIInChI=1S/C12H22N4OS/c1-8(2)14-12(4,11(13)17)7-18-10-6-9(3)15-16(10)5/h6,8,14H,7H2,1-5H3,(H2,13,17)
InChIKeyIIGBUUUEVHLTBZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.06
Rot. Bonds6

About 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide

3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 55071062) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID55071062
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCc1cc(SCC(C)(NC(C)C)C(N)=O)n(C)n1
InChIInChI=1S/C12H22N4OS/c1-8(2)14-12(4,11(13)17)7-18-10-6-9(3)15-16(10)5/h6,8,14H,7H2,1-5H3,(H2,13,17)
InChIKeyIIGBUUUEVHLTBZ-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide (CID 55071062) is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide is Cc1cc(SCC(C)(NC(C)C)C(N)=O)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is IIGBUUUEVHLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(2)14-12(4,11(13)17)7-18-10-6-9(3)15-16(10)5/h6,8,14H,7H2,1-5H3,(H2,13,17).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide?
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 270.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 55071062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).