3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

C11H18N2S2 — CID 115732676

IUPAC3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2cncs2)C1
InChIInChI=1S/C11H18N2S2/c1-2-14-10-4-3-9(5-10)13-7-11-6-12-8-15-11/h6,8-10,13H,2-5,7H2,1H3
InChIKeyQHPLIBRAEGPPQL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.91
Rot. Bonds5

About 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine

3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (PubChem CID 115732676) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
PubChem CID115732676
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2cncs2)C1
InChIInChI=1S/C11H18N2S2/c1-2-14-10-4-3-9(5-10)13-7-11-6-12-8-15-11/h6,8-10,13H,2-5,7H2,1H3
InChIKeyQHPLIBRAEGPPQL-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732660
3-ethylsulfanyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 103702404
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
4-bromo-2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 103702367
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine (CID 115732676) is 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is CCSC1CCC(NCc2cncs2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is QHPLIBRAEGPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-2-14-10-4-3-9(5-10)13-7-11-6-12-8-15-11/h6,8-10,13H,2-5,7H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115732676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).