N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine

C8H13N3S — CID 79500663

IUPACN-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine
SMILESc1nsnc1CNC1CCCC1
InChIInChI=1S/C8H13N3S/c1-2-4-7(3-1)9-5-8-6-10-12-11-8/h6-7,9H,1-5H2
InChIKeyHUIKMVTXMHYZPY-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.57
Rot. Bonds3

About N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine

N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine (PubChem CID 79500663) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine
PubChem CID79500663
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine
SMILESc1nsnc1CNC1CCCC1
InChIInChI=1S/C8H13N3S/c1-2-4-7(3-1)9-5-8-6-10-12-11-8/h6-7,9H,1-5H2
InChIKeyHUIKMVTXMHYZPY-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine?
The IUPAC name of N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine (CID 79500663) is N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine is c1nsnc1CNC1CCCC1.
What is the InChIKey of N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine?
The InChIKey is HUIKMVTXMHYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-4-7(3-1)9-5-8-6-10-12-11-8/h6-7,9H,1-5H2.
What are the key properties of N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine?
N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine has a molecular weight of 183.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,5-thiadiazol-3-ylmethyl)cyclopentanamine is sourced from PubChem (CID 79500663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).