2-but-2-ynylsulfanylpyridin-3-amine

C9H10N2S — CID 62311743

IUPAC2-but-2-ynylsulfanylpyridin-3-amine
SMILESCC#CCSc1ncccc1N
InChIInChI=1S/C9H10N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,7,10H2,1H3
InChIKeyGJMXHAFBTLZTCC-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.78
Rot. Bonds2

About 2-but-2-ynylsulfanylpyridin-3-amine

2-but-2-ynylsulfanylpyridin-3-amine (PubChem CID 62311743) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-but-2-ynylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-but-2-ynylsulfanylpyridin-3-amine
PubChem CID62311743
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-but-2-ynylsulfanylpyridin-3-amine
SMILESCC#CCSc1ncccc1N
InChIInChI=1S/C9H10N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,7,10H2,1H3
InChIKeyGJMXHAFBTLZTCC-UHFFFAOYSA-N
XLogP1.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine
CID 62338669
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
CID 43300189
3-but-2-ynylsulfanyl-2-methylaniline
CID 79144504
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797
2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
CID 105403862
2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
2-(2-ethylhexylsulfanyl)pyridin-3-amine
CID 63462980
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706
2-[(5-methyl-3-pyridinyl)methylsulfanyl]pyridin-3-amine
CID 102878437
2-[(3-amino-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 130752156
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynylsulfanylpyridin-3-amine?
The IUPAC name of 2-but-2-ynylsulfanylpyridin-3-amine (CID 62311743) is 2-but-2-ynylsulfanylpyridin-3-amine.
What is the SMILES notation for 2-but-2-ynylsulfanylpyridin-3-amine?
The canonical SMILES for 2-but-2-ynylsulfanylpyridin-3-amine is CC#CCSc1ncccc1N.
What is the InChIKey of 2-but-2-ynylsulfanylpyridin-3-amine?
The InChIKey is GJMXHAFBTLZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,7,10H2,1H3.
What are the key properties of 2-but-2-ynylsulfanylpyridin-3-amine?
2-but-2-ynylsulfanylpyridin-3-amine has a molecular weight of 178.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynylsulfanylpyridin-3-amine is sourced from PubChem (CID 62311743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).