2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol

C10H22N2O4S — CID 63310144

IUPAC2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
SMILESCOCCS(=O)(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C10H22N2O4S/c1-16-9-10-17(14,15)12-4-2-3-11(5-6-12)7-8-13/h13H,2-10H2,1H3
InChIKeyAAAJBYIINNOIDZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP-1.04
Rot. Bonds6

About 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol

2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol (PubChem CID 63310144) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
PubChem CID63310144
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
SMILESCOCCS(=O)(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C10H22N2O4S/c1-16-9-10-17(14,15)12-4-2-3-11(5-6-12)7-8-13/h13H,2-10H2,1H3
InChIKeyAAAJBYIINNOIDZ-UHFFFAOYSA-N
XLogP-1.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chloroethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 107652652
1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane
CID 64587097
1-(bromomethylsulfonyl)-4-(2-methoxyethyl)-1,4-diazepane
CID 83083609
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
5-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 55010115
2-[4-[(4-fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanol
CID 63310011
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
5-[4-(2-ethoxyethylsulfonyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63245672
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43501356
1-(2-methoxyethyl)-4-piperazin-1-ylsulfonyl-1,4-diazepane
CID 61254572
5-tert-butyl-2-[[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 95751862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol (CID 63310144) is 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol is COCCS(=O)(=O)N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is AAAJBYIINNOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-16-9-10-17(14,15)12-4-2-3-11(5-6-12)7-8-13/h13H,2-10H2,1H3.
What are the key properties of 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol?
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 266.36 g/mol, XLogP of -1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).