2,7-dimethyl-5-thia-2-azaspiro[3.4]octane

C8H15NS — CID 163390289

IUPAC2,7-dimethyl-5-thia-2-azaspiro[3.4]octane
SMILESCC1CSC2(C1)CN(C)C2
InChIInChI=1S/C8H15NS/c1-7-3-8(10-4-7)5-9(2)6-8/h7H,3-6H2,1-2H3
InChIKeySXNMGGOUNQYLJX-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.44
Rot. Bonds

About 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane

2,7-dimethyl-5-thia-2-azaspiro[3.4]octane (PubChem CID 163390289) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,7-dimethyl-5-thia-2-azaspiro[3.4]octane
PubChem CID163390289
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,7-dimethyl-5-thia-2-azaspiro[3.4]octane
SMILESCC1CSC2(C1)CN(C)C2
InChIInChI=1S/C8H15NS/c1-7-3-8(10-4-7)5-9(2)6-8/h7H,3-6H2,1-2H3
InChIKeySXNMGGOUNQYLJX-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-Dimethyl-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 117673581
7-Methyl-5-thia-2-azaspiro[3.4]octane
CID 145156851
2,8-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 156555470
2-Methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane
CID 163390182
7-Ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
CID 163390240
1-Methyl-3-(3-methylsulfanylpropyl)azetidine
CID 166688597
(8R)-2,8-dimethyl-5-thia-2-azaspiro[3.4]octane
CID 168135538
2-Butyl-5-thia-2-azaspiro[3.4]octane;ethane
CID 176925367
2-Methyl-5-thia-2-azaspiro[3.5]nonane
CID 82415822
1-(Thiolan-3-ylmethyl)azetidine
CID 126994441
3-Propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
CID 127000282
2-Propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
CID 128129447

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane (CID 163390289) is 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane is CC1CSC2(C1)CN(C)C2.
What is the InChIKey of 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is SXNMGGOUNQYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-3-8(10-4-7)5-9(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane?
2,7-dimethyl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 157.28 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 163390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).