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

C9H15N3S2 — CID 62577257

IUPACN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
SMILESc1nnc(SCCCCNC2CC2)s1
InChIInChI=1S/C9H15N3S2/c1(5-10-8-3-4-8)2-6-13-9-12-11-7-14-9/h7-8,10H,1-6H2
InChIKeyYJTYGZMDMWQNQV-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.16
Rot. Bonds7

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

N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine (PubChem CID 62577257) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
PubChem CID62577257
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
SMILESc1nnc(SCCCCNC2CC2)s1
InChIInChI=1S/C9H15N3S2/c1(5-10-8-3-4-8)2-6-13-9-12-11-7-14-9/h7-8,10H,1-6H2
InChIKeyYJTYGZMDMWQNQV-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.16
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-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine (CID 62577257) is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine is c1nnc(SCCCCNC2CC2)s1.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine?
The InChIKey is YJTYGZMDMWQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1(5-10-8-3-4-8)2-6-13-9-12-11-7-14-9/h7-8,10H,1-6H2.
What are the key properties of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine?
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine has a molecular weight of 229.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine is sourced from PubChem (CID 62577257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).