7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

C11H23N3O2S — CID 115100892

IUPAC7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCNC2)S1(=O)=O
InChIInChI=1S/C11H23N3O2S/c1-10-7-13-5-6-14(17(10,15)16)9-11-3-2-4-12-8-11/h10-13H,2-9H2,1H3
InChIKeyQMNPBCPTXVFKLX-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.39
Rot. Bonds2

About 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide

7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 115100892) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID115100892
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1CNCCN(CC2CCCNC2)S1(=O)=O
InChIInChI=1S/C11H23N3O2S/c1-10-7-13-5-6-14(17(10,15)16)9-11-3-2-4-12-8-11/h10-13H,2-9H2,1H3
InChIKeyQMNPBCPTXVFKLX-UHFFFAOYSA-N
XLogP-0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 115100852
7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100882
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 115100892) is 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is CC1CNCCN(CC2CCCNC2)S1(=O)=O.
What is the InChIKey of 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is QMNPBCPTXVFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-7-13-5-6-14(17(10,15)16)9-11-3-2-4-12-8-11/h10-13H,2-9H2,1H3.
What are the key properties of 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide?
7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 261.39 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperidin-3-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 115100892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).