4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one

C10H17NO2S — CID 130618861

IUPAC4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
SMILESCC1COC(=O)C1NCC1CCCS1
InChIInChI=1S/C10H17NO2S/c1-7-6-13-10(12)9(7)11-5-8-3-2-4-14-8/h7-9,11H,2-6H2,1H3
InChIKeyXSDWCZMFUMOAJW-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.03
Rot. Bonds3

About 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one

4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one (PubChem CID 130618861) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one.

Molecular Properties

Compound Name4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
PubChem CID130618861
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
SMILESCC1COC(=O)C1NCC1CCCS1
InChIInChI=1S/C10H17NO2S/c1-7-6-13-10(12)9(7)11-5-8-3-2-4-14-8/h7-9,11H,2-6H2,1H3
InChIKeyXSDWCZMFUMOAJW-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-2-[[(2S)-thian-2-yl]amino]butanoate
CID 18654160
Propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 21431793
methyl (2S)-3-methyl-2-(thiolane-2-carbonylamino)butanoate
CID 57301076
Ethyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 12881263
ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 14003869
ethyl (4R)-2-(1-ethoxy-3-methyl-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 14003875
ethyl (4R)-2-(1-ethoxy-1-oxobutan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 14003877
Propyl 2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42744271
methyl (2S)-3-methyl-2-(thiolan-3-ylamino)butanoate
CID 43452222
Methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate
CID 43688949
Methyl 3-methyl-2-(thiolan-3-ylamino)pentanoate
CID 43732313
3-(Thiolan-3-ylamino)oxolan-2-one
CID 43823891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one?
The IUPAC name of 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one (CID 130618861) is 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one.
What is the SMILES notation for 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one?
The canonical SMILES for 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one is CC1COC(=O)C1NCC1CCCS1.
What is the InChIKey of 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one?
The InChIKey is XSDWCZMFUMOAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-6-13-10(12)9(7)11-5-8-3-2-4-14-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one?
4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one is sourced from PubChem (CID 130618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).