2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile

C14H17N3OS — CID 97235146

IUPAC2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CCO[C@]2(CCSC2)C1
InChIInChI=1S/C14H17N3OS/c15-9-11-2-1-5-16-13(11)17-12-3-6-18-14(8-12)4-7-19-10-14/h1-2,5,12H,3-4,6-8,10H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyKHQWNNHJJPLRNL-GXTWGEPZSA-N
MW275.38 g/mol
LogP2.42
Rot. Bonds2

About 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile

2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile (PubChem CID 97235146) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
PubChem CID97235146
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CCO[C@]2(CCSC2)C1
InChIInChI=1S/C14H17N3OS/c15-9-11-2-1-5-16-13(11)17-12-3-6-18-14(8-12)4-7-19-10-14/h1-2,5,12H,3-4,6-8,10H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyKHQWNNHJJPLRNL-GXTWGEPZSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
2-nitro-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]benzonitrile
CID 124603955
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71847247
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
N-(1-pyridin-2-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895334
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97234841
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile (CID 97235146) is 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@H]1CCO[C@]2(CCSC2)C1.
What is the InChIKey of 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile?
The InChIKey is KHQWNNHJJPLRNL-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-9-11-2-1-5-16-13(11)17-12-3-6-18-14(8-12)4-7-19-10-14/h1-2,5,12H,3-4,6-8,10H2,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile?
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile has a molecular weight of 275.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97235146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).