N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide

C11H24N2O3S — CID 79387780

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,14)10-12(3)17(15,16)13-8-6-4-5-7-9-13/h14H,4-10H2,1-3H3
InChIKeyMBUOTGVPTFMFQV-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.81
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide (PubChem CID 79387780) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
PubChem CID79387780
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,14)10-12(3)17(15,16)13-8-6-4-5-7-9-13/h14H,4-10H2,1-3H3
InChIKeyMBUOTGVPTFMFQV-UHFFFAOYSA-N
XLogP0.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide (CID 79387780) is N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The InChIKey is MBUOTGVPTFMFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,14)10-12(3)17(15,16)13-8-6-4-5-7-9-13/h14H,4-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 79387780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).