2-butyl-5-thia-2-azaspiro[3.4]octane;ethane

C12H25NS — CID 176925367

IUPAC2-butyl-5-thia-2-azaspiro[3.4]octane;ethane
SMILESCC.CCCCN1CC2(CCCS2)C1
InChIInChI=1S/C10H19NS.C2H6/c1-2-3-6-11-8-10(9-11)5-4-7-12-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyQZQIOJNSPJLURD-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.39
Rot. Bonds3

About 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane

2-butyl-5-thia-2-azaspiro[3.4]octane;ethane (PubChem CID 176925367) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2-butyl-5-thia-2-azaspiro[3.4]octane;ethane
PubChem CID176925367
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-butyl-5-thia-2-azaspiro[3.4]octane;ethane
SMILESCC.CCCCN1CC2(CCCS2)C1
InChIInChI=1S/C10H19NS.C2H6/c1-2-3-6-11-8-10(9-11)5-4-7-12-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyQZQIOJNSPJLURD-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylthiolan-2-yl)methyl]-N-methylethanamine
CID 132149841
3-Methylsulfanyl-1,2-di(propan-2-yl)azetidine
CID 134269822
Ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine
CID 145416358
4-butan-2-ylsulfanyl-N,N,4-trimethylpentan-1-amine
CID 156099511
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
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
1-Methyl-3-(3-methylsulfanylpropyl)azetidine
CID 166688597
3-(1-Ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
CID 167098001
(8R)-2,8-dimethyl-5-thia-2-azaspiro[3.4]octane
CID 168135538
N-methyl-N-(thiolan-2-ylmethyl)propan-1-amine
CID 169307381

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane?
The IUPAC name of 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane (CID 176925367) is 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane?
The canonical SMILES for 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane is CC.CCCCN1CC2(CCCS2)C1.
What is the InChIKey of 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane?
The InChIKey is QZQIOJNSPJLURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.C2H6/c1-2-3-6-11-8-10(9-11)5-4-7-12-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane?
2-butyl-5-thia-2-azaspiro[3.4]octane;ethane has a molecular weight of 215.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-thia-2-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 176925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).