1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

C15H21N3S — CID 102925665

IUPAC1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)nc(SCCC2CCCC2(N)C#N)c1
InChIInChI=1S/C15H21N3S/c1-11-8-12(2)18-14(9-11)19-7-5-13-4-3-6-15(13,17)10-16/h8-9,13H,3-7,17H2,1-2H3
InChIKeyJKQCKTKMZQPUOP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.20
Rot. Bonds4

About 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 102925665) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
PubChem CID102925665
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)nc(SCCC2CCCC2(N)C#N)c1
InChIInChI=1S/C15H21N3S/c1-11-8-12(2)18-14(9-11)19-7-5-13-4-3-6-15(13,17)10-16/h8-9,13H,3-7,17H2,1-2H3
InChIKeyJKQCKTKMZQPUOP-UHFFFAOYSA-N
XLogP3.20
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile (CID 102925665) is 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile is Cc1cc(C)nc(SCCC2CCCC2(N)C#N)c1.
What is the InChIKey of 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is JKQCKTKMZQPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-8-12(2)18-14(9-11)19-7-5-13-4-3-6-15(13,17)10-16/h8-9,13H,3-7,17H2,1-2H3.
What are the key properties of 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 102925665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).