3-propan-2-ylcyclobutane-1-sulfonyl chloride

C7H13ClO2S — CID 103564835

IUPAC3-propan-2-ylcyclobutane-1-sulfonyl chloride
SMILESCC(C)C1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO2S/c1-5(2)6-3-7(4-6)11(8,9)10/h5-7H,3-4H2,1-2H3
InChIKeyDBLOYVLVNCWPDQ-UHFFFAOYSA-N
MW196.70 g/mol
LogP1.99
Rot. Bonds2

About 3-propan-2-ylcyclobutane-1-sulfonyl chloride

3-propan-2-ylcyclobutane-1-sulfonyl chloride (PubChem CID 103564835) has the molecular formula C7H13ClO2S and a molecular weight of 196.70 g/mol. Its IUPAC name is 3-propan-2-ylcyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-propan-2-ylcyclobutane-1-sulfonyl chloride
PubChem CID103564835
Molecular FormulaC7H13ClO2S
Molecular Weight196.70 g/mol
Exact Mass196.03
IUPAC Name3-propan-2-ylcyclobutane-1-sulfonyl chloride
SMILESCC(C)C1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO2S/c1-5(2)6-3-7(4-6)11(8,9)10/h5-7H,3-4H2,1-2H3
InChIKeyDBLOYVLVNCWPDQ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylcyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-propan-2-ylcyclobutane-1-sulfonyl chloride (CID 103564835) is 3-propan-2-ylcyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-propan-2-ylcyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-propan-2-ylcyclobutane-1-sulfonyl chloride is CC(C)C1CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-propan-2-ylcyclobutane-1-sulfonyl chloride?
The InChIKey is DBLOYVLVNCWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S/c1-5(2)6-3-7(4-6)11(8,9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-ylcyclobutane-1-sulfonyl chloride?
3-propan-2-ylcyclobutane-1-sulfonyl chloride has a molecular weight of 196.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 103564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).