N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide

C14H28N2O3S — CID 107406915

IUPACN-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H28N2O3S/c1-14(17)9-6-11-16(12-10-14)20(18,19)15(2)13-7-4-3-5-8-13/h13,17H,3-12H2,1-2H3
InChIKeyHXLFPJBCMAMOOM-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.73
Rot. Bonds3

About N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide

N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide (PubChem CID 107406915) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
PubChem CID107406915
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H28N2O3S/c1-14(17)9-6-11-16(12-10-14)20(18,19)15(2)13-7-4-3-5-8-13/h13,17H,3-12H2,1-2H3
InChIKeyHXLFPJBCMAMOOM-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide (CID 107406915) is N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The InChIKey is HXLFPJBCMAMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-14(17)9-6-11-16(12-10-14)20(18,19)15(2)13-7-4-3-5-8-13/h13,17H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 107406915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).