5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide

C9H13N3OS — CID 115490174

IUPAC5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCCCO)cn1
InChIInChI=1S/C9H13N3OS/c10-9(11)8-3-2-7(6-12-8)14-5-1-4-13/h2-3,6,13H,1,4-5H2,(H3,10,11)
InChIKeyISYZEVXOAUKTRU-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.84
Rot. Bonds5

About 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide

5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide (PubChem CID 115490174) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
PubChem CID115490174
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SCCCO)cn1
InChIInChI=1S/C9H13N3OS/c10-9(11)8-3-2-7(6-12-8)14-5-1-4-13/h2-3,6,13H,1,4-5H2,(H3,10,11)
InChIKeyISYZEVXOAUKTRU-UHFFFAOYSA-N
XLogP0.84
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyridylthio)ethan-1-ol
CID 2774933
2-Pyridinecarbothioamide, 4-(ethylthio)-
CID 3001425
2-Pyridinecarbothioamide, 4-(propylthio)-
CID 3001426
2-Pyridinecarbothioamide, 4-(butylthio)-
CID 3001427
2-Pyridinecarbothioamide, 4-((1-methylpropyl)thio)-
CID 3001430
N'-{[2-(phenylthio)acetyl]oxy}-2-pyridinecarboximidamide
CID 9587570
4-(2-Cyanopyridine-4-ylthio)butanamide
CID 477664
4-Thiocarbamoylmethylthiopyridine-2-carbothioamide
CID 3002240
2-(Phenylthio)-N-(pyridin-2-ylmethyl)ethan-1-amine
CID 8025031
5-(Tert-butylsulfanyl)pyridine-2-carboximidamide hydrochloride
CID 71756586
5-(Tert-butylsulfanyl)pyridine-2-carbothioamide
CID 71757100
1-(3-(Ethanesulfonyl)pyridin-2-yl)methanamine hydrochloride
CID 146050327

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide (CID 115490174) is 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(SCCCO)cn1.
What is the InChIKey of 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is ISYZEVXOAUKTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-9(11)8-3-2-7(6-12-8)14-5-1-4-13/h2-3,6,13H,1,4-5H2,(H3,10,11).
What are the key properties of 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide?
5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide has a molecular weight of 211.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 115490174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).