[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone

C11H18N4OS — CID 103352437

IUPAC[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCCC1CCN(C(=O)c2cnns2)C(CN)C1
InChIInChI=1S/C11H18N4OS/c1-2-8-3-4-15(9(5-8)6-12)11(16)10-7-13-14-17-10/h7-9H,2-6,12H2,1H3
InChIKeyYCRXQSPPEDWYJG-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.13
Rot. Bonds3

About [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 103352437) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID103352437
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCCC1CCN(C(=O)c2cnns2)C(CN)C1
InChIInChI=1S/C11H18N4OS/c1-2-8-3-4-15(9(5-8)6-12)11(16)10-7-13-14-17-10/h7-9H,2-6,12H2,1H3
InChIKeyYCRXQSPPEDWYJG-UHFFFAOYSA-N
XLogP1.13
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 103352115
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963758
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855238
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 103352365
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 103352204
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 103352434
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 103352437) is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone is CCC1CCN(C(=O)c2cnns2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is YCRXQSPPEDWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-8-3-4-15(9(5-8)6-12)11(16)10-7-13-14-17-10/h7-9H,2-6,12H2,1H3.
What are the key properties of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone?
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 103352437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).