N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine

C10H14N2O2S — CID 81040808

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
SMILESO=S1(=O)CCCC1CNc1ccccn1
InChIInChI=1S/C10H14N2O2S/c13-15(14)7-3-4-9(15)8-12-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2,(H,11,12)
InChIKeyZQOFWJFUJBXTRU-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.07
Rot. Bonds3

About N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine

N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine (PubChem CID 81040808) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
PubChem CID81040808
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
SMILESO=S1(=O)CCCC1CNc1ccccn1
InChIInChI=1S/C10H14N2O2S/c13-15(14)7-3-4-9(15)8-12-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2,(H,11,12)
InChIKeyZQOFWJFUJBXTRU-UHFFFAOYSA-N
XLogP1.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine (CID 81040808) is N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine is O=S1(=O)CCCC1CNc1ccccn1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine?
The InChIKey is ZQOFWJFUJBXTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-15(14)7-3-4-9(15)8-12-10-5-1-2-6-11-10/h1-2,5-6,9H,3-4,7-8H2,(H,11,12).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine has a molecular weight of 226.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 81040808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).