1-(3-methylbutyl)-3-methylsulfanylazetidine

C9H19NS — CID 59761969

IUPAC1-(3-methylbutyl)-3-methylsulfanylazetidine
SMILESCSC1CN(CCC(C)C)C1
InChIInChI=1S/C9H19NS/c1-8(2)4-5-10-6-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyBKZNNWOOTJEJBE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds4

About 1-(3-methylbutyl)-3-methylsulfanylazetidine

1-(3-methylbutyl)-3-methylsulfanylazetidine (PubChem CID 59761969) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-methylsulfanylazetidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-methylsulfanylazetidine
PubChem CID59761969
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(3-methylbutyl)-3-methylsulfanylazetidine
SMILESCSC1CN(CCC(C)C)C1
InChIInChI=1S/C9H19NS/c1-8(2)4-5-10-6-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyBKZNNWOOTJEJBE-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-1-propylazetidine
CID 66695251
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168740489
3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
1-(3-methylbutyl)-4-propan-2-ylsulfanylpiperidine
CID 167480358
imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 144899570
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-methylsulfanylazetidine?
The IUPAC name of 1-(3-methylbutyl)-3-methylsulfanylazetidine (CID 59761969) is 1-(3-methylbutyl)-3-methylsulfanylazetidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-methylsulfanylazetidine?
The canonical SMILES for 1-(3-methylbutyl)-3-methylsulfanylazetidine is CSC1CN(CCC(C)C)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-methylsulfanylazetidine?
The InChIKey is BKZNNWOOTJEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)4-5-10-6-9(7-10)11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-methylsulfanylazetidine?
1-(3-methylbutyl)-3-methylsulfanylazetidine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-methylsulfanylazetidine is sourced from PubChem (CID 59761969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).