(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide

C11H17N3OS — CID 96510593

IUPAC(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Sc1nccc(C)n1
InChIInChI=1S/C11H17N3OS/c1-4-6-12-10(15)9(3)16-11-13-7-5-8(2)14-11/h5,7,9H,4,6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyKLIHYMONSLVFER-VIFPVBQESA-N
MW239.34 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide

(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide (PubChem CID 96510593) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
PubChem CID96510593
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Sc1nccc(C)n1
InChIInChI=1S/C11H17N3OS/c1-4-6-12-10(15)9(3)16-11-13-7-5-8(2)14-11/h5,7,9H,4,6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyKLIHYMONSLVFER-VIFPVBQESA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268721
ethyl 2-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylacetate
CID 79357158
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
1-(2,5-dimethylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-one
CID 62268043
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
2-methylsulfanyl-N-propylpropanamide
CID 131085433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide?
The IUPAC name of (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide (CID 96510593) is (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide?
The canonical SMILES for (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide is CCCNC(=O)[C@H](C)Sc1nccc(C)n1.
What is the InChIKey of (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide?
The InChIKey is KLIHYMONSLVFER-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-6-12-10(15)9(3)16-11-13-7-5-8(2)14-11/h5,7,9H,4,6H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide?
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 96510593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).