3-methylsulfanyl-1,2-di(propan-2-yl)azetidine

C10H21NS — CID 134269822

IUPAC3-methylsulfanyl-1,2-di(propan-2-yl)azetidine
SMILESCSC1CN(C(C)C)C1C(C)C
InChIInChI=1S/C10H21NS/c1-7(2)10-9(12-5)6-11(10)8(3)4/h7-10H,6H2,1-5H3
InChIKeyQOZYSDZMSAISSY-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds3

About 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine

3-methylsulfanyl-1,2-di(propan-2-yl)azetidine (PubChem CID 134269822) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine.

Molecular Properties

Compound Name3-methylsulfanyl-1,2-di(propan-2-yl)azetidine
PubChem CID134269822
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-methylsulfanyl-1,2-di(propan-2-yl)azetidine
SMILESCSC1CN(C(C)C)C1C(C)C
InChIInChI=1S/C10H21NS/c1-7(2)10-9(12-5)6-11(10)8(3)4/h7-10H,6H2,1-5H3
InChIKeyQOZYSDZMSAISSY-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine?
The IUPAC name of 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine (CID 134269822) is 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine.
What is the SMILES notation for 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine?
The canonical SMILES for 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine is CSC1CN(C(C)C)C1C(C)C.
What is the InChIKey of 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine?
The InChIKey is QOZYSDZMSAISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-7(2)10-9(12-5)6-11(10)8(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine?
3-methylsulfanyl-1,2-di(propan-2-yl)azetidine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1,2-di(propan-2-yl)azetidine is sourced from PubChem (CID 134269822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).