1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine

C10H19NO4S2 — CID 72719080

IUPAC1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C10H19NO4S2/c1-8(2)7-16(12,13)10-5-11(6-10)17(14,15)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyHLGXBEGRZZSMTM-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.23
Rot. Bonds5

About 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine

1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine (PubChem CID 72719080) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
PubChem CID72719080
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C10H19NO4S2/c1-8(2)7-16(12,13)10-5-11(6-10)17(14,15)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyHLGXBEGRZZSMTM-UHFFFAOYSA-N
XLogP0.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine (CID 72719080) is 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The InChIKey is HLGXBEGRZZSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-8(2)7-16(12,13)10-5-11(6-10)17(14,15)9-3-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine?
1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine has a molecular weight of 281.40 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 72719080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).