N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide

C11H17N3OS — CID 2645538

IUPACN-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)[C@H](C)NC(=O)CSc1ncccn1
InChIInChI=1S/C11H17N3OS/c1-8(2)9(3)14-10(15)7-16-11-12-5-4-6-13-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyJOAXECRAJZQGED-VIFPVBQESA-N
MW239.34 g/mol
LogP1.73
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2645538) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2645538
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)[C@H](C)NC(=O)CSc1ncccn1
InChIInChI=1S/C11H17N3OS/c1-8(2)9(3)14-10(15)7-16-11-12-5-4-6-13-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyJOAXECRAJZQGED-VIFPVBQESA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide (CID 2645538) is N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is CC(C)[C@H](C)NC(=O)CSc1ncccn1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is JOAXECRAJZQGED-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(2)9(3)14-10(15)7-16-11-12-5-4-6-13-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2645538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).