4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide

C11H21NO2S — CID 58054364

IUPAC4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
SMILESCC(C)C1CN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21NO2S/c1-9(2)10-7-12(8-10)11-3-5-15(13,14)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyNTBLMUQSSPMENR-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.15
Rot. Bonds2

About 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide

4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide (PubChem CID 58054364) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
PubChem CID58054364
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
SMILESCC(C)C1CN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H21NO2S/c1-9(2)10-7-12(8-10)11-3-5-15(13,14)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyNTBLMUQSSPMENR-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide (CID 58054364) is 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide is CC(C)C1CN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide?
The InChIKey is NTBLMUQSSPMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(2)10-7-12(8-10)11-3-5-15(13,14)6-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide?
4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylazetidin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 58054364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).