3-(2,2-dimethylpropylsulfanyl)azetidine

C8H17NS — CID 115070184

IUPAC3-(2,2-dimethylpropylsulfanyl)azetidine
SMILESCC(C)(C)CSC1CNC1
InChIInChI=1S/C8H17NS/c1-8(2,3)6-10-7-4-9-5-7/h7,9H,4-6H2,1-3H3
InChIKeyATFJVWSNWWFWKC-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds2

About 3-(2,2-dimethylpropylsulfanyl)azetidine

3-(2,2-dimethylpropylsulfanyl)azetidine (PubChem CID 115070184) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylsulfanyl)azetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropylsulfanyl)azetidine
PubChem CID115070184
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(2,2-dimethylpropylsulfanyl)azetidine
SMILESCC(C)(C)CSC1CNC1
InChIInChI=1S/C8H17NS/c1-8(2,3)6-10-7-4-9-5-7/h7,9H,4-6H2,1-3H3
InChIKeyATFJVWSNWWFWKC-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
3-(2-methylpropylsulfanyl)azetidine
CID 62784262
3-(cyclopentylmethylsulfanyl)azetidine
CID 63120225
3-(2,2-dimethylpropylsulfanylmethyl)piperidine
CID 115070779
1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol
CID 66290916
3-(disulfanyl)azetidine
CID 126561623
N-(3,3-dimethylbutyl)-N-methylazetidin-3-amine
CID 66186139
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
3-(2-methylpentan-2-yl)azetidine
CID 167096507
(3R)-3-propylsulfanylpyrrolidine
CID 89159387

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylsulfanyl)azetidine?
The IUPAC name of 3-(2,2-dimethylpropylsulfanyl)azetidine (CID 115070184) is 3-(2,2-dimethylpropylsulfanyl)azetidine.
What is the SMILES notation for 3-(2,2-dimethylpropylsulfanyl)azetidine?
The canonical SMILES for 3-(2,2-dimethylpropylsulfanyl)azetidine is CC(C)(C)CSC1CNC1.
What is the InChIKey of 3-(2,2-dimethylpropylsulfanyl)azetidine?
The InChIKey is ATFJVWSNWWFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)6-10-7-4-9-5-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropylsulfanyl)azetidine?
3-(2,2-dimethylpropylsulfanyl)azetidine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylsulfanyl)azetidine is sourced from PubChem (CID 115070184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).