2-methyl-2-(thian-2-yl)-1,3-oxazolidine

C9H17NOS — CID 117227319

IUPAC2-methyl-2-(thian-2-yl)-1,3-oxazolidine
SMILESCC1(C2CCCCS2)NCCO1
InChIInChI=1S/C9H17NOS/c1-9(10-5-6-11-9)8-4-2-3-7-12-8/h8,10H,2-7H2,1H3
InChIKeyHTDHQDINLKJPFQ-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds1

About 2-methyl-2-(thian-2-yl)-1,3-oxazolidine

2-methyl-2-(thian-2-yl)-1,3-oxazolidine (PubChem CID 117227319) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-2-(thian-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-2-(thian-2-yl)-1,3-oxazolidine
PubChem CID117227319
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-2-(thian-2-yl)-1,3-oxazolidine
SMILESCC1(C2CCCCS2)NCCO1
InChIInChI=1S/C9H17NOS/c1-9(10-5-6-11-9)8-4-2-3-7-12-8/h8,10H,2-7H2,1H3
InChIKeyHTDHQDINLKJPFQ-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methyl-1,3-oxazolidine;hydrochloride
CID 117227541
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117227333
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227468
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227438
2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
CID 117227318
2-methyl-2-(thiolan-2-yl)pyrrolidine
CID 105434982
2-methyl-2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazolidine
CID 117227323
5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one
CID 117158944
2-ethyl-2-(thiolan-2-yl)pyrrolidine
CID 117270993
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-2-yl)-1,3-oxazolidine?
The IUPAC name of 2-methyl-2-(thian-2-yl)-1,3-oxazolidine (CID 117227319) is 2-methyl-2-(thian-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-2-(thian-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2-methyl-2-(thian-2-yl)-1,3-oxazolidine is CC1(C2CCCCS2)NCCO1.
What is the InChIKey of 2-methyl-2-(thian-2-yl)-1,3-oxazolidine?
The InChIKey is HTDHQDINLKJPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-9(10-5-6-11-9)8-4-2-3-7-12-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-2-(thian-2-yl)-1,3-oxazolidine?
2-methyl-2-(thian-2-yl)-1,3-oxazolidine has a molecular weight of 187.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 117227319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).