4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C12H17N3O2S — CID 97383562

IUPAC4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(S(=O)(=O)C2CC2)Cc2cccnc21
InChIInChI=1S/C12H17N3O2S/c1-14-7-8-15(18(16,17)11-4-5-11)9-10-3-2-6-13-12(10)14/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyAOFZAFQTQSGZOS-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.83
Rot. Bonds2

About 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97383562) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97383562
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(S(=O)(=O)C2CC2)Cc2cccnc21
InChIInChI=1S/C12H17N3O2S/c1-14-7-8-15(18(16,17)11-4-5-11)9-10-3-2-6-13-12(10)14/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyAOFZAFQTQSGZOS-UHFFFAOYSA-N
XLogP0.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16740663
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CID 4879849
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CID 888610
CID 888610
CID 2815614
CID 2815614
CID 759581
CID 759581
CID 2094153
CID 2094153
CID 3234926
CID 3234926
CID 4536240
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CID 5268164
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CID 97391247
CID 97391247

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97383562) is 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is CN1CCN(S(=O)(=O)C2CC2)Cc2cccnc21.
What is the InChIKey of 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is AOFZAFQTQSGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14-7-8-15(18(16,17)11-4-5-11)9-10-3-2-6-13-12(10)14/h2-3,6,11H,4-5,7-9H2,1H3.
What are the key properties of 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 267.35 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97383562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).