2,2-dimethyl-1-(thian-4-yl)azetidine

C10H19NS — CID 130693441

IUPAC2,2-dimethyl-1-(thian-4-yl)azetidine
SMILESCC1(C)CCN1C1CCSCC1
InChIInChI=1S/C10H19NS/c1-10(2)5-6-11(10)9-3-7-12-8-4-9/h9H,3-8H2,1-2H3
InChIKeyCYIJBSQSPQWGOC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.37
Rot. Bonds1

About 2,2-dimethyl-1-(thian-4-yl)azetidine

2,2-dimethyl-1-(thian-4-yl)azetidine (PubChem CID 130693441) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(thian-4-yl)azetidine.

Molecular Properties

Compound Name2,2-dimethyl-1-(thian-4-yl)azetidine
PubChem CID130693441
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2,2-dimethyl-1-(thian-4-yl)azetidine
SMILESCC1(C)CCN1C1CCSCC1
InChIInChI=1S/C10H19NS/c1-10(2)5-6-11(10)9-3-7-12-8-4-9/h9H,3-8H2,1-2H3
InChIKeyCYIJBSQSPQWGOC-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Propan-2-ylazetidin-1-yl)thiane 1-oxide
CID 58054366
N-ethyl-N-methylthian-3-amine
CID 90987800
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404
Ethane;2-methyl-4-(2-methylpropyl)-3-propan-2-yl-1,3-thiazetidine
CID 141816778
N-ethyl-N-(3-methylbutyl)thian-4-amine
CID 144314052
3-Ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine
CID 155141319
4-[2-Methyl-1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]thiomorpholine
CID 156284809
Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine
CID 163258099
2-Propan-2-yl-7-thia-2-azaspiro[3.5]nonane
CID 166054937
Ethane;1-methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 166144595
1-Cyclohexyl-3-(1-ethylsulfanylpropan-2-yl)azetidine
CID 167098002

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(thian-4-yl)azetidine?
The IUPAC name of 2,2-dimethyl-1-(thian-4-yl)azetidine (CID 130693441) is 2,2-dimethyl-1-(thian-4-yl)azetidine.
What is the SMILES notation for 2,2-dimethyl-1-(thian-4-yl)azetidine?
The canonical SMILES for 2,2-dimethyl-1-(thian-4-yl)azetidine is CC1(C)CCN1C1CCSCC1.
What is the InChIKey of 2,2-dimethyl-1-(thian-4-yl)azetidine?
The InChIKey is CYIJBSQSPQWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(2)5-6-11(10)9-3-7-12-8-4-9/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(thian-4-yl)azetidine?
2,2-dimethyl-1-(thian-4-yl)azetidine has a molecular weight of 185.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(thian-4-yl)azetidine is sourced from PubChem (CID 130693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).