2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C11H13N2PS — CID 143534690

IUPAC2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(CP)c1C#N)CCC2
InChIInChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3
InChIKeyIPKKJSVFMIWUKS-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.54
Rot. Bonds2

About 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 143534690) has the molecular formula C11H13N2PS and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID143534690
Molecular FormulaC11H13N2PS
Molecular Weight236.28 g/mol
Exact Mass236.05
IUPAC Name2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(CP)c1C#N)CCC2
InChIInChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3
InChIKeyIPKKJSVFMIWUKS-UHFFFAOYSA-N
XLogP2.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-2-methylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 57336401
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid
CID 4737313
4-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 40952786
2-(2-oxopropylsulfanyl)-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 1203503
4-methyl-2-[2-(1-methyltetrazol-5-yl)ethylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 167981362
methyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
CID 2881101
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23475978

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 143534690) is 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CSc1nc2c(c(CP)c1C#N)CCC2.
What is the InChIKey of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is IPKKJSVFMIWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3.
What are the key properties of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 143534690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).