7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C14H17N3O4S — CID 18422443

IUPAC7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C14H17N3O4S/c18-13-9-15-14(19)11-8-10(4-5-12(11)16-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,19)(H,16,18)
InChIKeyMOMXLTAVTLPKDR-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.54
Rot. Bonds2

About 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 18422443) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID18422443
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C14H17N3O4S/c18-13-9-15-14(19)11-8-10(4-5-12(11)16-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,19)(H,16,18)
InChIKeyMOMXLTAVTLPKDR-UHFFFAOYSA-N
XLogP0.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 71875688
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 156743603
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
CID 163372216
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-propan-2-ylidene-1H-indol-2-one
CID 46281865
5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 46834728

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 18422443) is 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is O=C1CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N1.
What is the InChIKey of 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is MOMXLTAVTLPKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-13-9-15-14(19)11-8-10(4-5-12(11)16-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,19)(H,16,18).
What are the key properties of 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 323.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 18422443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).