4-pent-3-ynylsulfanylpyridin-3-amine

C10H12N2S — CID 104808050

IUPAC4-pent-3-ynylsulfanylpyridin-3-amine
SMILESCC#CCCSc1ccncc1N
InChIInChI=1S/C10H12N2S/c1-2-3-4-7-13-10-5-6-12-8-9(10)11/h5-6,8H,4,7,11H2,1H3
InChIKeyQRTZWEUWPQKTBG-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.17
Rot. Bonds3

About 4-pent-3-ynylsulfanylpyridin-3-amine

4-pent-3-ynylsulfanylpyridin-3-amine (PubChem CID 104808050) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-pent-3-ynylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-pent-3-ynylsulfanylpyridin-3-amine
PubChem CID104808050
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-pent-3-ynylsulfanylpyridin-3-amine
SMILESCC#CCCSc1ccncc1N
InChIInChI=1S/C10H12N2S/c1-2-3-4-7-13-10-5-6-12-8-9(10)11/h5-6,8H,4,7,11H2,1H3
InChIKeyQRTZWEUWPQKTBG-UHFFFAOYSA-N
XLogP2.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798

Frequently Asked Questions

What is the IUPAC name of 4-pent-3-ynylsulfanylpyridin-3-amine?
The IUPAC name of 4-pent-3-ynylsulfanylpyridin-3-amine (CID 104808050) is 4-pent-3-ynylsulfanylpyridin-3-amine.
What is the SMILES notation for 4-pent-3-ynylsulfanylpyridin-3-amine?
The canonical SMILES for 4-pent-3-ynylsulfanylpyridin-3-amine is CC#CCCSc1ccncc1N.
What is the InChIKey of 4-pent-3-ynylsulfanylpyridin-3-amine?
The InChIKey is QRTZWEUWPQKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-3-4-7-13-10-5-6-12-8-9(10)11/h5-6,8H,4,7,11H2,1H3.
What are the key properties of 4-pent-3-ynylsulfanylpyridin-3-amine?
4-pent-3-ynylsulfanylpyridin-3-amine has a molecular weight of 192.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-3-ynylsulfanylpyridin-3-amine is sourced from PubChem (CID 104808050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).