N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine

C10H17N3S2 — CID 64648022

IUPACN-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nncs1
InChIInChI=1S/C10H17N3S2/c1-2-6-11-8-4-3-5-9(8)15-10-13-12-7-14-10/h7-9,11H,2-6H2,1H3
InChIKeyCDNXVPHKWCNLPD-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.55
Rot. Bonds5

About N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine

N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine (PubChem CID 64648022) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
PubChem CID64648022
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC NameN-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nncs1
InChIInChI=1S/C10H17N3S2/c1-2-6-11-8-4-3-5-9(8)15-10-13-12-7-14-10/h7-9,11H,2-6H2,1H3
InChIKeyCDNXVPHKWCNLPD-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine (CID 64648022) is N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine is CCCNC1CCCC1Sc1nncs1.
What is the InChIKey of N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is CDNXVPHKWCNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-2-6-11-8-4-3-5-9(8)15-10-13-12-7-14-10/h7-9,11H,2-6H2,1H3.
What are the key properties of N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 243.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64648022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).