3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile

C11H13N3S — CID 107296225

IUPAC3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NCC1CCSC1
InChIInChI=1S/C11H13N3S/c12-6-11-10(2-1-4-13-11)14-7-9-3-5-15-8-9/h1-2,4,9,14H,3,5,7-8H2
InChIKeyCEPCFSDISDXAFR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.12
Rot. Bonds3

About 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile

3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 107296225) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
PubChem CID107296225
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1NCC1CCSC1
InChIInChI=1S/C11H13N3S/c12-6-11-10(2-1-4-13-11)14-7-9-3-5-15-8-9/h1-2,4,9,14H,3,5,7-8H2
InChIKeyCEPCFSDISDXAFR-UHFFFAOYSA-N
XLogP2.12
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131580
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
2-ethylsulfanyl-6-(thiolan-3-ylmethylamino)benzonitrile
CID 107296228
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698
N-(thiolan-3-ylmethyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 107131604
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
2-[4-(thiolan-3-ylmethylamino)phenyl]acetonitrile
CID 107131639
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
CID 107131685
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile (CID 107296225) is 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile is N#Cc1ncccc1NCC1CCSC1.
What is the InChIKey of 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is CEPCFSDISDXAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-11-10(2-1-4-13-11)14-7-9-3-5-15-8-9/h1-2,4,9,14H,3,5,7-8H2.
What are the key properties of 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile?
3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 107296225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).