N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine

C8H13N3S2 — CID 61386356

IUPACN-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine
SMILESc1nnc(SCCCNC2CC2)s1
InChIInChI=1S/C8H13N3S2/c1(4-9-7-2-3-7)5-12-8-11-10-6-13-8/h6-7,9H,1-5H2
InChIKeyILYHMFZFTWZRTM-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.77
Rot. Bonds6

About N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine

N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine (PubChem CID 61386356) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine
PubChem CID61386356
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine
SMILESc1nnc(SCCCNC2CC2)s1
InChIInChI=1S/C8H13N3S2/c1(4-9-7-2-3-7)5-12-8-11-10-6-13-8/h6-7,9H,1-5H2
InChIKeyILYHMFZFTWZRTM-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.77
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 N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine (CID 61386356) is N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine is c1nnc(SCCCNC2CC2)s1.
What is the InChIKey of N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine?
The InChIKey is ILYHMFZFTWZRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1(4-9-7-2-3-7)5-12-8-11-10-6-13-8/h6-7,9H,1-5H2.
What are the key properties of N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine?
N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine has a molecular weight of 215.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine is sourced from PubChem (CID 61386356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).