2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H17N3S — CID 107296218

IUPAC2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCSC1)CCC2
InChIInChI=1S/C14H17N3S/c15-7-12-6-11-2-1-3-13(11)17-14(12)16-8-10-4-5-18-9-10/h6,10H,1-5,8-9H2,(H,16,17)
InChIKeyRMMXKFJZVVLIGI-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.61
Rot. Bonds3

About 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 107296218) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID107296218
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCSC1)CCC2
InChIInChI=1S/C14H17N3S/c15-7-12-6-11-2-1-3-13(11)17-14(12)16-8-10-4-5-18-9-10/h6,10H,1-5,8-9H2,(H,16,17)
InChIKeyRMMXKFJZVVLIGI-UHFFFAOYSA-N
XLogP2.61
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106130351
2-(oxan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61038404
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126918702
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63830627
2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 137336209
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 107296218) is 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCC1CCSC1)CCC2.
What is the InChIKey of 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is RMMXKFJZVVLIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-7-12-6-11-2-1-3-13(11)17-14(12)16-8-10-4-5-18-9-10/h6,10H,1-5,8-9H2,(H,16,17).
What are the key properties of 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 259.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 107296218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).