N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C14H17N3O2S — CID 40558768

IUPACN-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC[C@@H](C)O
InChIInChI=1S/C14H17N3O2S/c1-9(18)7-15-13(19)8-20-14-10(2)16-11-5-3-4-6-12(11)17-14/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyPDGBMDQNKNKBLM-SECBINFHSA-N
MW291.38 g/mol
LogP1.53
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 40558768) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID40558768
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC[C@@H](C)O
InChIInChI=1S/C14H17N3O2S/c1-9(18)7-15-13(19)8-20-14-10(2)16-11-5-3-4-6-12(11)17-14/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyPDGBMDQNKNKBLM-SECBINFHSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide
CID 27209722
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
N-[1-(4-bromophenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 43055140
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-methyl-3-(3-methylquinoxalin-2-yl)sulfanylpropanoic acid
CID 64916743
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 40558768) is N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PDGBMDQNKNKBLM-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(18)7-15-13(19)8-20-14-10(2)16-11-5-3-4-6-12(11)17-14/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 40558768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).