1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane

C16H26N4O2S — CID 46981276

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
SMILESCC1CCN(S(=O)(=O)N2CCCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-15-6-11-20(12-7-15)23(21,22)19-10-4-9-18(13-14-19)16-5-2-3-8-17-16/h2-3,5,8,15H,4,6-7,9-14H2,1H3
InChIKeyHUYNSXRCZOPNCJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane

1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane (PubChem CID 46981276) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
PubChem CID46981276
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
SMILESCC1CCN(S(=O)(=O)N2CCCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4O2S/c1-15-6-11-20(12-7-15)23(21,22)19-10-4-9-18(13-14-19)16-5-2-3-8-17-16/h2-3,5,8,15H,4,6-7,9-14H2,1H3
InChIKeyHUYNSXRCZOPNCJ-UHFFFAOYSA-N
XLogP1.57
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
1-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 167750740
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane (CID 46981276) is 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane is CC1CCN(S(=O)(=O)N2CCCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane?
The InChIKey is HUYNSXRCZOPNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-15-6-11-20(12-7-15)23(21,22)19-10-4-9-18(13-14-19)16-5-2-3-8-17-16/h2-3,5,8,15H,4,6-7,9-14H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane?
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane has a molecular weight of 338.48 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane is sourced from PubChem (CID 46981276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).