2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide

C10H15N3OS — CID 107770746

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC(C)C(C)O)c1
InChIInChI=1S/C10H15N3OS/c1-6(14)7(2)15-9-5-8(10(11)12)3-4-13-9/h3-7,14H,1-2H3,(H3,11,12)
InChIKeyWUQUPEOYGHDOIC-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.23
Rot. Bonds4

About 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide

2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 107770746) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID107770746
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(SC(C)C(C)O)c1
InChIInChI=1S/C10H15N3OS/c1-6(14)7(2)15-9-5-8(10(11)12)3-4-13-9/h3-7,14H,1-2H3,(H3,11,12)
InChIKeyWUQUPEOYGHDOIC-UHFFFAOYSA-N
XLogP1.23
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107750066
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136829662
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(hydroxymethyl)pyridine-4-carboximidamide
CID 157277304
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771098
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide (CID 107770746) is 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(SC(C)C(C)O)c1.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is WUQUPEOYGHDOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(14)7(2)15-9-5-8(10(11)12)3-4-13-9/h3-7,14H,1-2H3,(H3,11,12).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide?
2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 107770746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).