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

C12H21N3S2 — CID 79576785

IUPACN-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1nncs1
InChIInChI=1S/C12H21N3S2/c1-2-7-13-11-5-3-4-10(11)6-8-16-12-15-14-9-17-12/h9-11,13H,2-8H2,1H3
InChIKeyWLLHLCHXESOFMP-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.19
Rot. Bonds7

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

N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 79576785) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID79576785
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1nncs1
InChIInChI=1S/C12H21N3S2/c1-2-7-13-11-5-3-4-10(11)6-8-16-12-15-14-9-17-12/h9-11,13H,2-8H2,1H3
InChIKeyWLLHLCHXESOFMP-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79577014
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 79573661
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577348
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
2-[2-(4-nitrophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79576656
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187
4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64649388
2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79576807
N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 62577881

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine (CID 79576785) is N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine is CCCNC1CCCC1CCSc1nncs1.
What is the InChIKey of N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is WLLHLCHXESOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-2-7-13-11-5-3-4-10(11)6-8-16-12-15-14-9-17-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine?
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79576785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).