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

C13H26N2O4S — CID 114951806

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O4S/c1-14(12-13(16)6-10-19-11-7-13)20(17,18)15-8-4-2-3-5-9-15/h16H,2-12H2,1H3
InChIKeyYIZKUQSIJDSAEP-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.58
Rot. Bonds4

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

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide (PubChem CID 114951806) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
PubChem CID114951806
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O4S/c1-14(12-13(16)6-10-19-11-7-13)20(17,18)15-8-4-2-3-5-9-15/h16H,2-12H2,1H3
InChIKeyYIZKUQSIJDSAEP-UHFFFAOYSA-N
XLogP0.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 114951821
N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 115867678
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
CID 131892402
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
N-(2-hydroxypropyl)-N-methylpiperidine-1-sulfonamide
CID 62333146
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 114951826
N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
CID 79387780
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 114950260
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide (CID 114951806) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide is CN(CC1(O)CCOCC1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The InChIKey is YIZKUQSIJDSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-14(12-13(16)6-10-19-11-7-13)20(17,18)15-8-4-2-3-5-9-15/h16H,2-12H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 114951806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).