2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C10H17N3O2S — CID 6565893

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSC1=NCCN1)NC[C@H]1CCCO1
InChIInChI=1S/C10H17N3O2S/c14-9(7-16-10-11-3-4-12-10)13-6-8-2-1-5-15-8/h8H,1-7H2,(H,11,12)(H,13,14)/t8-/m1/s1
InChIKeyHJUUTUFGAQGTGD-MRVPVSSYSA-N
MW243.33 g/mol
LogP-0.03
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 6565893) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID6565893
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSC1=NCCN1)NC[C@H]1CCCO1
InChIInChI=1S/C10H17N3O2S/c14-9(7-16-10-11-3-4-12-10)13-6-8-2-1-5-15-8/h8H,1-7H2,(H,11,12)(H,13,14)/t8-/m1/s1
InChIKeyHJUUTUFGAQGTGD-MRVPVSSYSA-N
XLogP-0.03
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2200753
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185369
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94201113
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9378471
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]but-2-enamide
CID 137034882
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7183957
N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078872
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(oxolan-2-ylmethyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827563
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 6565893) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CSC1=NCCN1)NC[C@H]1CCCO1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is HJUUTUFGAQGTGD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-9(7-16-10-11-3-4-12-10)13-6-8-2-1-5-15-8/h8H,1-7H2,(H,11,12)(H,13,14)/t8-/m1/s1.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 243.33 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 6565893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).