N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide

C10H20N2O5S — CID 163088747

IUPACN,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide
SMILESCN(C)C(=O)COC1COCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O5S/c1-11(2)10(13)8-17-9-6-12(18(3,14)15)4-5-16-7-9/h9H,4-8H2,1-3H3
InChIKeyABXXGNZQYNHFQH-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.25
Rot. Bonds4

About N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide

N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide (PubChem CID 163088747) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide
PubChem CID163088747
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC NameN,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide
SMILESCN(C)C(=O)COC1COCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O5S/c1-11(2)10(13)8-17-9-6-12(18(3,14)15)4-5-16-7-9/h9H,4-8H2,1-3H3
InChIKeyABXXGNZQYNHFQH-UHFFFAOYSA-N
XLogP-1.25
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[(6R)-4-methylsulfonyl-1,4-oxazepan-6-yl]oxy]acetamide
CID 75367817
N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
CID 162798298
N,N-dimethyl-2-[[(5R)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476480
N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476479
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
(6R)-4-(4-fluorophenyl)sulfonyl-6-(2-methoxyethoxy)-1,4-oxazepane
CID 75367821
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407
N,N-dimethyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyacetamide
CID 59988887
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
N,N-dimethyl-5-[(4-methylsulfonyl-1,4-oxazepan-6-yl)methyl]pyrazin-2-amine
CID 110269110
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
2-[(4-methyl-1,4-oxazepan-6-yl)oxy]ethanol
CID 118230256

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide (CID 163088747) is N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide is CN(C)C(=O)COC1COCCN(S(C)(=O)=O)C1.
What is the InChIKey of N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide?
The InChIKey is ABXXGNZQYNHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-11(2)10(13)8-17-9-6-12(18(3,14)15)4-5-16-7-9/h9H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide?
N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide has a molecular weight of 280.35 g/mol, XLogP of -1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide is sourced from PubChem (CID 163088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).