2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine

C8H11N3O2S — CID 130948244

IUPAC2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CS(=O)(=O)C2)nc1
InChIInChI=1S/C8H11N3O2S/c9-6-1-2-8(10-3-6)11-7-4-14(12,13)5-7/h1-3,7H,4-5,9H2,(H,10,11)
InChIKeyLRMYRNXALQLSLY-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.13
Rot. Bonds2

About 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine

2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine (PubChem CID 130948244) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
PubChem CID130948244
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CS(=O)(=O)C2)nc1
InChIInChI=1S/C8H11N3O2S/c9-6-1-2-8(10-3-6)11-7-4-14(12,13)5-7/h1-3,7H,4-5,9H2,(H,10,11)
InChIKeyLRMYRNXALQLSLY-UHFFFAOYSA-N
XLogP-0.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-cyclopropylpyridine-2,5-diamine
CID 16776026
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
CID 130816194
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
2-N-(1,1-dioxothian-3-yl)quinoline-2,6-diamine
CID 63923297
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
2-N-[(4Z,6Z)-3-methylidenecyclonona-4,6-dien-1-yl]pyridine-2,5-diamine
CID 121381105
1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
CID 68719868
5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 133424242
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine (CID 130948244) is 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine is Nc1ccc(NC2CS(=O)(=O)C2)nc1.
What is the InChIKey of 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine?
The InChIKey is LRMYRNXALQLSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-6-1-2-8(10-3-6)11-7-4-14(12,13)5-7/h1-3,7H,4-5,9H2,(H,10,11).
What are the key properties of 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine?
2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine has a molecular weight of 213.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 130948244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).