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

C10H18N4S — CID 43664002

IUPAC3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCCC1
InChIInChI=1S/C10H18N4S/c1-2-6-14(5-1)7-3-4-11-8-10-9-15-13-12-10/h9,11H,1-8H2
InChIKeyYDDPTKXELLAUSX-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.11
Rot. Bonds6

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

3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664002) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664002
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCCC1
InChIInChI=1S/C10H18N4S/c1-2-6-14(5-1)7-3-4-11-8-10-9-15-13-12-10/h9,11H,1-8H2
InChIKeyYDDPTKXELLAUSX-UHFFFAOYSA-N
XLogP1.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.11
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-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664002) is 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1snnc1CNCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is YDDPTKXELLAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-6-14(5-1)7-3-4-11-8-10-9-15-13-12-10/h9,11H,1-8H2.
What are the key properties of 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 226.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).