1-propan-2-yl-3-propan-2-ylsulfanylazetidine

C9H19NS — CID 137471120

IUPAC1-propan-2-yl-3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CN(C(C)C)C1
InChIInChI=1S/C9H19NS/c1-7(2)10-5-9(6-10)11-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOSFRKVBSXYNEOW-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds3

About 1-propan-2-yl-3-propan-2-ylsulfanylazetidine

1-propan-2-yl-3-propan-2-ylsulfanylazetidine (PubChem CID 137471120) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-ylsulfanylazetidine.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-ylsulfanylazetidine
PubChem CID137471120
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-propan-2-yl-3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CN(C(C)C)C1
InChIInChI=1S/C9H19NS/c1-7(2)10-5-9(6-10)11-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOSFRKVBSXYNEOW-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylazetidine?
The IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylazetidine (CID 137471120) is 1-propan-2-yl-3-propan-2-ylsulfanylazetidine.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-ylsulfanylazetidine?
The canonical SMILES for 1-propan-2-yl-3-propan-2-ylsulfanylazetidine is CC(C)SC1CN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propan-2-ylsulfanylazetidine?
The InChIKey is OSFRKVBSXYNEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)10-5-9(6-10)11-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-ylsulfanylazetidine?
1-propan-2-yl-3-propan-2-ylsulfanylazetidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propan-2-ylsulfanylazetidine is sourced from PubChem (CID 137471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).