6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide

C11H15N3OS — CID 82738725

IUPAC6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide
SMILESCN(c1ccc(C(N)=S)cn1)C1CCOC1
InChIInChI=1S/C11H15N3OS/c1-14(9-4-5-15-7-9)10-3-2-8(6-13-10)11(12)16/h2-3,6,9H,4-5,7H2,1H3,(H2,12,16)
InChIKeyPFEGSXNYYTWDQY-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.94
Rot. Bonds3

About 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide

6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide (PubChem CID 82738725) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide
PubChem CID82738725
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide
SMILESCN(c1ccc(C(N)=S)cn1)C1CCOC1
InChIInChI=1S/C11H15N3OS/c1-14(9-4-5-15-7-9)10-3-2-8(6-13-10)11(12)16/h2-3,6,9H,4-5,7H2,1H3,(H2,12,16)
InChIKeyPFEGSXNYYTWDQY-UHFFFAOYSA-N
XLogP0.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-6-[methyl(oxolan-3-yl)amino]pyridine-3-carboximidamide
CID 82739589
6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
CID 43267331
6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carbothioamide
CID 54948080
2-methyl-6-[methyl(oxolan-3-yl)amino]pyridine-4-carbothioamide
CID 114767884
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 43611328
2-methyl-4-[methyl(oxolan-3-yl)amino]benzenecarbothioamide
CID 82738824
5-[methyl(oxolan-3-yl)amino]pyrazine-2-carboximidamide
CID 82739782
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
4-[2-[methyl(oxolan-3-yl)amino]ethylsulfonyl]benzenecarbothioamide
CID 82736898
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-fluoro-3-[[methyl(oxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 82738639
6-[methyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 24700897

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide (CID 82738725) is 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide is CN(c1ccc(C(N)=S)cn1)C1CCOC1.
What is the InChIKey of 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide?
The InChIKey is PFEGSXNYYTWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(9-4-5-15-7-9)10-3-2-8(6-13-10)11(12)16/h2-3,6,9H,4-5,7H2,1H3,(H2,12,16).
What are the key properties of 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide?
6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide has a molecular weight of 237.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 82738725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).