3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

C12H22N4S — CID 43663877

IUPAC3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1csnn1
InChIInChI=1S/C12H22N4S/c1-11-5-2-3-7-16(11)8-4-6-13-9-12-10-17-15-14-12/h10-11,13H,2-9H2,1H3
InChIKeyAQPUEUVIZWQZTJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.89
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43663877) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43663877
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1csnn1
InChIInChI=1S/C12H22N4S/c1-11-5-2-3-7-16(11)8-4-6-13-9-12-10-17-15-14-12/h10-11,13H,2-9H2,1H3
InChIKeyAQPUEUVIZWQZTJ-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43663877) is 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine is CC1CCCCN1CCCNCc1csnn1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is AQPUEUVIZWQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-11-5-2-3-7-16(11)8-4-6-13-9-12-10-17-15-14-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43663877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).