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

C10H19NS — CID 163390182

IUPAC2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane
SMILESCC(C)C1CSC2(C1)CN(C)C2
InChIInChI=1S/C10H19NS/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyAJSNDQRRBIBXRO-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds1

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

2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane (PubChem CID 163390182) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane
PubChem CID163390182
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane
SMILESCC(C)C1CSC2(C1)CN(C)C2
InChIInChI=1S/C10H19NS/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyAJSNDQRRBIBXRO-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-(3-methylsulfanylpropyl)-4-propylpyrrolidine
CID 126566242
N-[(3,4-dimethylthiolan-2-yl)methyl]-N-methylethanamine
CID 132149841
2,8-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 156555470
7-Ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
CID 163390240
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
CID 166647314
1-Methyl-3-(3-methylsulfanylpropyl)azetidine
CID 166688597
(8R)-2,8-dimethyl-5-thia-2-azaspiro[3.4]octane
CID 168135538
5-methyl-2-[(2R)-1-methylsulfanylpropan-2-yl]-5-azaspiro[2.3]hexane
CID 174244317
2-Methyl-1-(2-methyl-3-methylsulfanylbutan-2-yl)-2-propan-2-ylazetidine
CID 175631655
2-Butyl-5-thia-2-azaspiro[3.4]octane;ethane
CID 176925367
1-(3-Ethylsulfanylpropyl)-3-propylpyrrolidine
CID 103715167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane (CID 163390182) is 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane is CC(C)C1CSC2(C1)CN(C)C2.
What is the InChIKey of 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is AJSNDQRRBIBXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane?
2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 185.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 163390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).