3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine

C14H19NS — CID 117032101

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
SMILESc1cc2c(cc1SCC1CNC1)CCCC2
InChIInChI=1S/C14H19NS/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-11-8-15-9-11/h5-7,11,15H,1-4,8-10H2
InChIKeyNOXAXIRCFIBNEM-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.88
Rot. Bonds3

About 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine

3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine (PubChem CID 117032101) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
PubChem CID117032101
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine
SMILESc1cc2c(cc1SCC1CNC1)CCCC2
InChIInChI=1S/C14H19NS/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-11-8-15-9-11/h5-7,11,15H,1-4,8-10H2
InChIKeyNOXAXIRCFIBNEM-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)morpholine
CID 117034371
1-[5-(azetidin-3-ylmethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117032122
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
CID 117033721
3-[(3-chlorophenyl)sulfanylmethyl]azetidine
CID 115070679
3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
CID 117032119
1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
3-[(3-methoxyphenyl)sulfanylmethyl]azetidine
CID 115070683
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79322659
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 62576543
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyrrolidine
CID 62329474
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine (CID 117032101) is 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine is c1cc2c(cc1SCC1CNC1)CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine?
The InChIKey is NOXAXIRCFIBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-4-13-7-14(6-5-12(13)3-1)16-10-11-8-15-9-11/h5-7,11,15H,1-4,8-10H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine?
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine has a molecular weight of 233.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanylmethyl)azetidine is sourced from PubChem (CID 117032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).