7-methyl-5-thia-2-azaspiro[3.4]octane

C7H13NS — CID 145156851

IUPAC7-methyl-5-thia-2-azaspiro[3.4]octane
SMILESCC1CSC2(CNC2)C1
InChIInChI=1S/C7H13NS/c1-6-2-7(9-3-6)4-8-5-7/h6,8H,2-5H2,1H3
InChIKeyJEZITJTXLPECMR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About 7-methyl-5-thia-2-azaspiro[3.4]octane

7-methyl-5-thia-2-azaspiro[3.4]octane (PubChem CID 145156851) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 7-methyl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-methyl-5-thia-2-azaspiro[3.4]octane
PubChem CID145156851
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name7-methyl-5-thia-2-azaspiro[3.4]octane
SMILESCC1CSC2(CNC2)C1
InChIInChI=1S/C7H13NS/c1-6-2-7(9-3-6)4-8-5-7/h6,8H,2-5H2,1H3
InChIKeyJEZITJTXLPECMR-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Difluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306206
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane
CID 71306237
7,7-Difluoro-5-thia-2-azaspiro[3.4]octane
CID 121229875
7-Fluoro-5-thia-2-azaspiro[3.4]octane
CID 130981862
7,7-Difluoro-5-Thia-2-Azaspiro[3.4]Octane Hydrochloride
CID 131664405
3-[3-(Methylsulfanyl)propyl]azetidine
CID 116108551
5-Thia-2-azaspiro[3.4]octane
CID 118210528
(8S)-8-methyl-6-thia-2-azaspiro[3.4]octane
CID 121426257
3-(Thietan-2-yl)azetidine
CID 137504768
5-Thia-2-azaspiro[3.4]octan-7-amine
CID 141761350
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
(8R)-8-methyl-5-thia-2-azaspiro[3.4]octane
CID 170267719

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-methyl-5-thia-2-azaspiro[3.4]octane (CID 145156851) is 7-methyl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-methyl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-methyl-5-thia-2-azaspiro[3.4]octane is CC1CSC2(CNC2)C1.
What is the InChIKey of 7-methyl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is JEZITJTXLPECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-2-7(9-3-6)4-8-5-7/h6,8H,2-5H2,1H3.
What are the key properties of 7-methyl-5-thia-2-azaspiro[3.4]octane?
7-methyl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 145156851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).