N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C10H17N3O2S — CID 40704801

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOC[C@H](C)NC(=O)CSc1nccn1C
InChIInChI=1S/C10H17N3O2S/c1-8(6-15-3)12-9(14)7-16-10-11-4-5-13(10)2/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyDDCKSRXFXCAZIT-QMMMGPOBSA-N
MW243.33 g/mol
LogP0.66
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 40704801) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID40704801
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCOC[C@H](C)NC(=O)CSc1nccn1C
InChIInChI=1S/C10H17N3O2S/c1-8(6-15-3)12-9(14)7-16-10-11-4-5-13(10)2/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyDDCKSRXFXCAZIT-QMMMGPOBSA-N
XLogP0.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 24578161
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40791526
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18131158
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
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 7897464
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51283315
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 40704801) is N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is COC[C@H](C)NC(=O)CSc1nccn1C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is DDCKSRXFXCAZIT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(6-15-3)12-9(14)7-16-10-11-4-5-13(10)2/h4-5,8H,6-7H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 243.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 40704801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).