3-propan-2-ylsulfanylazetidine

C6H13NS — CID 54470041

IUPAC3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CNC1
InChIInChI=1S/C6H13NS/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKeyNIWVNVCSIWSDPA-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds2

About 3-propan-2-ylsulfanylazetidine

3-propan-2-ylsulfanylazetidine (PubChem CID 54470041) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-propan-2-ylsulfanylazetidine.

Molecular Properties

Compound Name3-propan-2-ylsulfanylazetidine
PubChem CID54470041
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CNC1
InChIInChI=1S/C6H13NS/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKeyNIWVNVCSIWSDPA-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylsulfanyl)azetidine hydrochloride
CID 57415899
3-(Tert-butylsulfanyl)azetidine hydrochloride
CID 72716429
N-methylthietan-3-amine hydrochloride
CID 132351247
2-(Methylthio)azetidine
CID 20139925
3-(Methylsulfanyl)azetidine
CID 54026681
N-methylthietan-3-amine
CID 57612877
3-Fluoro-3-methylsulfanylazetidine
CID 170103554
3-Thiocyanoazetidine
CID 129844218
3-[(2,2,2-Trifluoroethyl)sulfanyl]azetidine
CID 165605014
3-[(2,2-Difluoroethyl)sulfanyl]azetidine
CID 165988378
[2-(Ethylsulfanyl)ethyl](methyl)amine
CID 18683899
[2-(Tert-butylthio)ethyl]methylamine
CID 20699955

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanylazetidine?
The IUPAC name of 3-propan-2-ylsulfanylazetidine (CID 54470041) is 3-propan-2-ylsulfanylazetidine.
What is the SMILES notation for 3-propan-2-ylsulfanylazetidine?
The canonical SMILES for 3-propan-2-ylsulfanylazetidine is CC(C)SC1CNC1.
What is the InChIKey of 3-propan-2-ylsulfanylazetidine?
The InChIKey is NIWVNVCSIWSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfanylazetidine?
3-propan-2-ylsulfanylazetidine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanylazetidine is sourced from PubChem (CID 54470041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).