N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C10H17N3OS — CID 28699058

IUPACN-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC[C@@H](C)NC(=O)CSc1nccn1C
InChIInChI=1S/C10H17N3OS/c1-4-8(2)12-9(14)7-15-10-11-5-6-13(10)3/h5-6,8H,4,7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyNCKCPBRRWKDTMQ-MRVPVSSYSA-N
MW227.33 g/mol
LogP1.43
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 28699058) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID28699058
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC[C@@H](C)NC(=O)CSc1nccn1C
InChIInChI=1S/C10H17N3OS/c1-4-8(2)12-9(14)7-15-10-11-5-6-13(10)3/h5-6,8H,4,7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyNCKCPBRRWKDTMQ-MRVPVSSYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 28699058) is N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC[C@@H](C)NC(=O)CSc1nccn1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NCKCPBRRWKDTMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8(2)12-9(14)7-15-10-11-5-6-13(10)3/h5-6,8H,4,7H2,1-3H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 28699058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).