(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone

C11H16N2OS — CID 82242378

IUPAC(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)CCN1
InChIInChI=1S/C11H16N2OS/c1-9-4-6-13(7-5-12-9)11(14)10-3-2-8-15-10/h2-3,8-9,12H,4-7H2,1H3
InChIKeyOAQBGHJZEVBHFN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.57
Rot. Bonds1

About (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone

(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone (PubChem CID 82242378) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
PubChem CID82242378
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)CCN1
InChIInChI=1S/C11H16N2OS/c1-9-4-6-13(7-5-12-9)11(14)10-3-2-8-15-10/h2-3,8-9,12H,4-7H2,1H3
InChIKeyOAQBGHJZEVBHFN-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119576927
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone (CID 82242378) is (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone is CC1CCN(C(=O)c2cccs2)CCN1.
What is the InChIKey of (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The InChIKey is OAQBGHJZEVBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-4-6-13(7-5-12-9)11(14)10-3-2-8-15-10/h2-3,8-9,12H,4-7H2,1H3.
What are the key properties of (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82242378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).