2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide

C8H15NO2S — CID 51109505

IUPAC2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCSCC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO2S/c1-12-6-8(10)9-5-7-3-2-4-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyFUWAMSJMVPABKO-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.64
Rot. Bonds4

About 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 51109505) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID51109505
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCSCC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO2S/c1-12-6-8(10)9-5-7-3-2-4-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyFUWAMSJMVPABKO-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078872
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpropanoic acid
CID 43237289
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 51109505) is 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide is CSCC(=O)NCC1CCCO1.
What is the InChIKey of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FUWAMSJMVPABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12-6-8(10)9-5-7-3-2-4-11-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 189.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 51109505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).