4-cyclohexylsulfonyl-1,4-diazepan-2-one

C11H20N2O3S — CID 63822158

IUPAC4-cyclohexylsulfonyl-1,4-diazepan-2-one
SMILESO=C1CN(S(=O)(=O)C2CCCCC2)CCCN1
InChIInChI=1S/C11H20N2O3S/c14-11-9-13(8-4-7-12-11)17(15,16)10-5-2-1-3-6-10/h10H,1-9H2,(H,12,14)
InChIKeyVXYMDIKKFGBXCL-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.47
Rot. Bonds2

About 4-cyclohexylsulfonyl-1,4-diazepan-2-one

4-cyclohexylsulfonyl-1,4-diazepan-2-one (PubChem CID 63822158) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-cyclohexylsulfonyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-cyclohexylsulfonyl-1,4-diazepan-2-one
PubChem CID63822158
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-cyclohexylsulfonyl-1,4-diazepan-2-one
SMILESO=C1CN(S(=O)(=O)C2CCCCC2)CCCN1
InChIInChI=1S/C11H20N2O3S/c14-11-9-13(8-4-7-12-11)17(15,16)10-5-2-1-3-6-10/h10H,1-9H2,(H,12,14)
InChIKeyVXYMDIKKFGBXCL-UHFFFAOYSA-N
XLogP0.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfonyl-1,4-diazepan-2-one?
The IUPAC name of 4-cyclohexylsulfonyl-1,4-diazepan-2-one (CID 63822158) is 4-cyclohexylsulfonyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-cyclohexylsulfonyl-1,4-diazepan-2-one?
The canonical SMILES for 4-cyclohexylsulfonyl-1,4-diazepan-2-one is O=C1CN(S(=O)(=O)C2CCCCC2)CCCN1.
What is the InChIKey of 4-cyclohexylsulfonyl-1,4-diazepan-2-one?
The InChIKey is VXYMDIKKFGBXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11-9-13(8-4-7-12-11)17(15,16)10-5-2-1-3-6-10/h10H,1-9H2,(H,12,14).
What are the key properties of 4-cyclohexylsulfonyl-1,4-diazepan-2-one?
4-cyclohexylsulfonyl-1,4-diazepan-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfonyl-1,4-diazepan-2-one is sourced from PubChem (CID 63822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).