4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C13H21N3O3S — CID 97383582

IUPAC4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCCS(=O)(=O)N1CCN(CCOC)c2ncccc2C1
InChIInChI=1S/C13H21N3O3S/c1-3-20(17,18)16-8-7-15(9-10-19-2)13-12(11-16)5-4-6-14-13/h4-6H,3,7-11H2,1-2H3
InChIKeyVENZABQZHOVFSX-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.70
Rot. Bonds5

About 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97383582) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97383582
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCCS(=O)(=O)N1CCN(CCOC)c2ncccc2C1
InChIInChI=1S/C13H21N3O3S/c1-3-20(17,18)16-8-7-15(9-10-19-2)13-12(11-16)5-4-6-14-13/h4-6H,3,7-11H2,1-2H3
InChIKeyVENZABQZHOVFSX-UHFFFAOYSA-N
XLogP0.70
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
N-(5-methylpyridin-2-yl)butane-1-sulfonamide
CID 2094153
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
4-(benzenesulfonyl)-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97391247
N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268018
N-{[2-(3-hydroxy-1-piperidinyl)-3-pyridinyl]methyl}ethanesulfonamide
CID 45195675
1-[6-[4-(2-ethoxyethyl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 53609461
1-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 53612931
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide
CID 56789886
1-(cyclopropylmethyl)-4-ethylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97369108

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97383582) is 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is CCS(=O)(=O)N1CCN(CCOC)c2ncccc2C1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is VENZABQZHOVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-20(17,18)16-8-7-15(9-10-19-2)13-12(11-16)5-4-6-14-13/h4-6H,3,7-11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 299.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).