2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

C15H20ClN3S — CID 79575862

IUPAC2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCSc1ccc(Cl)cn1
InChIInChI=1S/C15H20ClN3S/c1-2-19-15(11-17)8-3-4-12(15)7-9-20-14-6-5-13(16)10-18-14/h5-6,10,12,19H,2-4,7-9H2,1H3
InChIKeyUOGWDRKQNKSWCC-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79575862) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79575862
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCSc1ccc(Cl)cn1
InChIInChI=1S/C15H20ClN3S/c1-2-19-15(11-17)8-3-4-12(15)7-9-20-14-6-5-13(16)10-18-14/h5-6,10,12,19H,2-4,7-9H2,1H3
InChIKeyUOGWDRKQNKSWCC-UHFFFAOYSA-N
XLogP3.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79575862) is 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCSc1ccc(Cl)cn1.
What is the InChIKey of 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is UOGWDRKQNKSWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-2-19-15(11-17)8-3-4-12(15)7-9-20-14-6-5-13(16)10-18-14/h5-6,10,12,19H,2-4,7-9H2,1H3.
What are the key properties of 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 309.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79575862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).