molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol

C7H12N2S — CID 143056439

IUPACmolecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
SMILESCC(S)Nc1cccnc1.[H][H]
InChIInChI=1S/C7H10N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-6,9-10H,1H3;1H
InChIKeyIXFDZHZIZFUIOB-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.02
Rot. Bonds2

About molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol

molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol (PubChem CID 143056439) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol.

Molecular Properties

Compound Namemolecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
PubChem CID143056439
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Namemolecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
SMILESCC(S)Nc1cccnc1.[H][H]
InChIInChI=1S/C7H10N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-6,9-10H,1H3;1H
InChIKeyIXFDZHZIZFUIOB-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
N-[1-(4-iodophenyl)ethyl]pyridin-3-amine
CID 43756657
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
molecular hydrogen;N-pyridin-3-ylethanethioamide
CID 143306027
N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine
CID 115727204
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
N-(2-methylbutyl)pyridin-3-amine
CID 43200734

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol?
The IUPAC name of molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol (CID 143056439) is molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol.
What is the SMILES notation for molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol?
The canonical SMILES for molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol is CC(S)Nc1cccnc1.[H][H].
What is the InChIKey of molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol?
The InChIKey is IXFDZHZIZFUIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-6,9-10H,1H3;1H.
What are the key properties of molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol?
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol has a molecular weight of 156.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol is sourced from PubChem (CID 143056439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).