2-(ethylsulfanylmethyl)-1,4-dimethylazetidine

C8H17NS — CID 178008911

IUPAC2-(ethylsulfanylmethyl)-1,4-dimethylazetidine
SMILESCCSCC1CC(C)N1C
InChIInChI=1S/C8H17NS/c1-4-10-6-8-5-7(2)9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyNVJXNYZNUDMCNA-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine

2-(ethylsulfanylmethyl)-1,4-dimethylazetidine (PubChem CID 178008911) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1,4-dimethylazetidine
PubChem CID178008911
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(ethylsulfanylmethyl)-1,4-dimethylazetidine
SMILESCCSCC1CC(C)N1C
InChIInChI=1S/C8H17NS/c1-4-10-6-8-5-7(2)9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyNVJXNYZNUDMCNA-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-3-propylthiomorpholine
CID 90765260
N-ethyl-N-methylthian-3-amine
CID 90987800
N,N-diethyl-4-ethylsulfanylbutan-2-amine
CID 91396101
6-Propan-2-yl-3-thia-6-azabicyclo[3.1.1]heptane
CID 117866499
3-Methyl-1-(thian-4-yl)azetidine
CID 117957404
3-(Methylsulfanylmethyl)-1-propan-2-ylazetidine
CID 122414296
N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine
CID 126603691
N-ethyl-4-methylsulfanyl-N-propan-2-ylpentan-1-amine
CID 129028249
3-Methylsulfanyl-1,2-di(propan-2-yl)azetidine
CID 134269822
1-(2-Propan-2-ylsulfanylethyl)azetidine
CID 137430542
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)-1,4-dimethylazetidine?
The IUPAC name of 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine (CID 178008911) is 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine is CCSCC1CC(C)N1C.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine?
The InChIKey is NVJXNYZNUDMCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-10-6-8-5-7(2)9(8)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine?
2-(ethylsulfanylmethyl)-1,4-dimethylazetidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1,4-dimethylazetidine is sourced from PubChem (CID 178008911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).