[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid

C8H16N2O6S — CID 170435077

IUPAC[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
SMILESCOCC1CCN(S(=O)(=O)NC(=O)O)CCO1
InChIInChI=1S/C8H16N2O6S/c1-15-6-7-2-3-10(4-5-16-7)17(13,14)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyVVICGNAYEIKGIF-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.76
Rot. Bonds4

About [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid

[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid (PubChem CID 170435077) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
PubChem CID170435077
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
SMILESCOCC1CCN(S(=O)(=O)NC(=O)O)CCO1
InChIInChI=1S/C8H16N2O6S/c1-15-6-7-2-3-10(4-5-16-7)17(13,14)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyVVICGNAYEIKGIF-UHFFFAOYSA-N
XLogP-0.76
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(7S)-7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
CID 170435075
tert-butyl N-(4-fluoro-2,5-dimethylphenyl)-N-[4-[[(7R)-7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamoyl]-1,3-oxazol-2-yl]carbamate
CID 156549650
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839
ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114465185
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976260
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane
CID 156549569
N-[[7-(cyclobutylmethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(2,5-dimethylanilino)-1,3-oxazole-4-carboxamide
CID 156549691
N-[[7-(ethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(4-fluoro-2-methyl-5-propan-2-ylanilino)-1,3-oxazole-4-carboxamide
CID 156549687
thiomorpholin-4-ylsulfonylcarbamic acid
CID 68549835
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563

Frequently Asked Questions

What is the IUPAC name of [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid?
The IUPAC name of [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid (CID 170435077) is [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid.
What is the SMILES notation for [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid?
The canonical SMILES for [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid is COCC1CCN(S(=O)(=O)NC(=O)O)CCO1.
What is the InChIKey of [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid?
The InChIKey is VVICGNAYEIKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-15-6-7-2-3-10(4-5-16-7)17(13,14)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid?
[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid has a molecular weight of 268.29 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid is sourced from PubChem (CID 170435077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).