1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane

C10H22N2O3S — CID 64587097

IUPAC1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane
SMILESCCS(=O)(=O)N1CCCN(CCOC)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-16(13,14)12-6-4-5-11(7-8-12)9-10-15-2/h3-10H2,1-2H3
InChIKeyUXTLYCVHVCFVKQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.01
Rot. Bonds5

About 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane

1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane (PubChem CID 64587097) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane
PubChem CID64587097
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane
SMILESCCS(=O)(=O)N1CCCN(CCOC)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-16(13,14)12-6-4-5-11(7-8-12)9-10-15-2/h3-10H2,1-2H3
InChIKeyUXTLYCVHVCFVKQ-UHFFFAOYSA-N
XLogP-0.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(bromomethylsulfonyl)-4-(2-methoxyethyl)-1,4-diazepane
CID 83083609
2-[4-(2-methoxyethylsulfonyl)-1,4-diazepan-1-yl]ethanol
CID 63310144
1-(2-methoxyethyl)-4-piperazin-1-ylsulfonyl-1,4-diazepane
CID 61254572
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 60960310
1-(2-methoxyethyl)azocane
CID 47014834
2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
CID 28705822
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 103299683
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55010068
1-butylsulfonyl-4-(2-chloroethyl)-1,4-diazepane
CID 63397592

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane?
The IUPAC name of 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane (CID 64587097) is 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane?
The canonical SMILES for 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane is CCS(=O)(=O)N1CCCN(CCOC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane?
The InChIKey is UXTLYCVHVCFVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-16(13,14)12-6-4-5-11(7-8-12)9-10-15-2/h3-10H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane?
1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane has a molecular weight of 250.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-methoxyethyl)-1,4-diazepane is sourced from PubChem (CID 64587097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).