3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea

C10H15N3OS — CID 76548093

IUPAC3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea
SMILESCC(C)(C)NC(=O)N(S)c1cccnc1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)12-9(14)13(15)8-5-4-6-11-7-8/h4-7,15H,1-3H3,(H,12,14)
InChIKeyKWVWXLGQRSAUED-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.24
Rot. Bonds1

About 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea

3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea (PubChem CID 76548093) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea.

Molecular Properties

Compound Name3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea
PubChem CID76548093
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea
SMILESCC(C)(C)NC(=O)N(S)c1cccnc1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)12-9(14)13(15)8-5-4-6-11-7-8/h4-7,15H,1-3H3,(H,12,14)
InChIKeyKWVWXLGQRSAUED-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[5-[tert-butylcarbamoyl(sulfanyl)amino]-2-pyridinyl] 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 87882841
methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
CID 138436775
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2-N'-methyl-2-N'-pyridin-3-ylpropane-2,2-diamine
CID 67770440
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
CID 115133332
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
2-methyl-2-(N-pyridin-3-ylanilino)butanoic acid
CID 68858029
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
CID 157283677
CID 157283677

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea?
The IUPAC name of 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea (CID 76548093) is 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea.
What is the SMILES notation for 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea?
The canonical SMILES for 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea is CC(C)(C)NC(=O)N(S)c1cccnc1.
What is the InChIKey of 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea?
The InChIKey is KWVWXLGQRSAUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(2,3)12-9(14)13(15)8-5-4-6-11-7-8/h4-7,15H,1-3H3,(H,12,14).
What are the key properties of 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea?
3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea has a molecular weight of 225.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-pyridin-3-yl-1-sulfanylurea is sourced from PubChem (CID 76548093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).