3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine

C10H19NS — CID 130575162

IUPAC3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine
SMILESCCC1(C)CNC1C1(SC)CC1
InChIInChI=1S/C10H19NS/c1-4-9(2)7-11-8(9)10(12-3)5-6-10/h8,11H,4-7H2,1-3H3
InChIKeyGDZHVKMWSCKNLC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds3

About 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine

3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine (PubChem CID 130575162) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine
PubChem CID130575162
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine
SMILESCCC1(C)CNC1C1(SC)CC1
InChIInChI=1S/C10H19NS/c1-4-9(2)7-11-8(9)10(12-3)5-6-10/h8,11H,4-7H2,1-3H3
InChIKeyGDZHVKMWSCKNLC-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
4,7-diethyl-7,11-dimethyl-9-azatetracyclo[9.1.1.01,3.03,8]tridecane
CID 123327480
3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 10607039
4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine
CID 130506514
3-ethyl-3-methyl-2-(4-methylphenyl)azetidine
CID 130575152
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
2,2-diethyl-5-propan-2-ylpiperazine
CID 64884451
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(5-ethyl-5-methylpiperidin-2-yl)methanamine
CID 165439097
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine?
The IUPAC name of 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine (CID 130575162) is 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine.
What is the SMILES notation for 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine?
The canonical SMILES for 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine is CCC1(C)CNC1C1(SC)CC1.
What is the InChIKey of 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine?
The InChIKey is GDZHVKMWSCKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9(2)7-11-8(9)10(12-3)5-6-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine?
3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine is sourced from PubChem (CID 130575162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).