N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide

C12H24N2O4S — CID 81130828

IUPACN-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(O)CCOCC1)N1CCCCCC1
InChIInChI=1S/C12H24N2O4S/c15-12(5-9-18-10-6-12)11-13-19(16,17)14-7-3-1-2-4-8-14/h13,15H,1-11H2
InChIKeyCHIZLTKGVZAVFX-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.24
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide (PubChem CID 81130828) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
PubChem CID81130828
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(O)CCOCC1)N1CCCCCC1
InChIInChI=1S/C12H24N2O4S/c15-12(5-9-18-10-6-12)11-13-19(16,17)14-7-3-1-2-4-8-14/h13,15H,1-11H2
InChIKeyCHIZLTKGVZAVFX-UHFFFAOYSA-N
XLogP0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438600
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 114951806
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 107271464
N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 81131180
ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 115753944
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
CID 115365086

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide (CID 81130828) is N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide is O=S(=O)(NCC1(O)CCOCC1)N1CCCCCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide?
The InChIKey is CHIZLTKGVZAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c15-12(5-9-18-10-6-12)11-13-19(16,17)14-7-3-1-2-4-8-14/h13,15H,1-11H2.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 81130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).