3-methylsulfanyl-1-propylazetidine

C7H15NS — CID 66695251

IUPAC3-methylsulfanyl-1-propylazetidine
SMILESCCCN1CC(SC)C1
InChIInChI=1S/C7H15NS/c1-3-4-8-5-7(6-8)9-2/h7H,3-6H2,1-2H3
InChIKeyQFVYCNVWPRKMMQ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds3

About 3-methylsulfanyl-1-propylazetidine

3-methylsulfanyl-1-propylazetidine (PubChem CID 66695251) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methylsulfanyl-1-propylazetidine.

Molecular Properties

Compound Name3-methylsulfanyl-1-propylazetidine
PubChem CID66695251
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methylsulfanyl-1-propylazetidine
SMILESCCCN1CC(SC)C1
InChIInChI=1S/C7H15NS/c1-3-4-8-5-7(6-8)9-2/h7H,3-6H2,1-2H3
InChIKeyQFVYCNVWPRKMMQ-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-3-methylsulfanylazetidine
CID 59761969
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
3-tert-butyl-1-propylazetidine
CID 134337419
3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
2-(3-methylsulfanylpyrrolidin-1-yl)ethanol
CID 131031599
2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
CID 130757506
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
N-ethyl-N-methyl-1-propylazetidin-3-amine
CID 142615882
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane
CID 130626414

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-propylazetidine?
The IUPAC name of 3-methylsulfanyl-1-propylazetidine (CID 66695251) is 3-methylsulfanyl-1-propylazetidine.
What is the SMILES notation for 3-methylsulfanyl-1-propylazetidine?
The canonical SMILES for 3-methylsulfanyl-1-propylazetidine is CCCN1CC(SC)C1.
What is the InChIKey of 3-methylsulfanyl-1-propylazetidine?
The InChIKey is QFVYCNVWPRKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-4-8-5-7(6-8)9-2/h7H,3-6H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-propylazetidine?
3-methylsulfanyl-1-propylazetidine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-propylazetidine is sourced from PubChem (CID 66695251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).