2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine

C11H23NS — CID 172588715

IUPAC2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine
SMILESCCSCC1CCN1CCC(C)C
InChIInChI=1S/C11H23NS/c1-4-13-9-11-6-8-12(11)7-5-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyQXNQTCUTPLMMMG-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds6

About 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine

2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine (PubChem CID 172588715) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine
PubChem CID172588715
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine
SMILESCCSCC1CCN1CCC(C)C
InChIInChI=1S/C11H23NS/c1-4-13-9-11-6-8-12(11)7-5-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyQXNQTCUTPLMMMG-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-3-fluoro-3-(1-methylsulfanylethyl)azetidine
CID 169579267
1-Tert-butyl-3-tert-butylsulfanylazetidine
CID 59522765
1-(3-Methylbutyl)-3-methylsulfanylazetidine
CID 59761969
1-Tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
CID 89248913
1-Tert-butyl-3-(methylsulfanylmethyl)azetidine
CID 90030249
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404
3-(Methylsulfanylmethyl)-1-propan-2-ylazetidine
CID 122414296
N-[2-(3-methylbutylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
CID 132080175
1-(3-Methylsulfanylpropyl)-3-propan-2-ylazetidine
CID 132122945
3-Methylsulfanyl-1,2-di(propan-2-yl)azetidine
CID 134269822
1-Propan-2-yl-3-(propan-2-ylsulfanylmethyl)azetidine
CID 137471119
1-Propan-2-yl-3-propan-2-ylsulfanylazetidine
CID 137471120

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine?
The IUPAC name of 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine (CID 172588715) is 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine is CCSCC1CCN1CCC(C)C.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine?
The InChIKey is QXNQTCUTPLMMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-13-9-11-6-8-12(11)7-5-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine?
2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1-(3-methylbutyl)azetidine is sourced from PubChem (CID 172588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).