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

C10H15N3OS — CID 107770761

IUPAC4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SC(C)C(C)O)ccn1
InChIInChI=1S/C10H15N3OS/c1-6(14)7(2)15-8-3-4-13-9(5-8)10(11)12/h3-7,14H,1-2H3,(H3,11,12)
InChIKeyPWUMHYMNHGQLJV-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.23
Rot. Bonds4

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

4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide (PubChem CID 107770761) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
PubChem CID107770761
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SC(C)C(C)O)ccn1
InChIInChI=1S/C10H15N3OS/c1-6(14)7(2)15-8-3-4-13-9(5-8)10(11)12/h3-7,14H,1-2H3,(H3,11,12)
InChIKeyPWUMHYMNHGQLJV-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-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771098
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
3-[(2-methoxy-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771094
2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107750066
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 55155904
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-methanimidoylpyridine-2-carboximidamide
CID 57062712

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide (CID 107770761) is 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(SC(C)C(C)O)ccn1.
What is the InChIKey of 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is PWUMHYMNHGQLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(14)7(2)15-8-3-4-13-9(5-8)10(11)12/h3-7,14H,1-2H3,(H3,11,12).
What are the key properties of 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide?
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-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 4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 107770761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).