N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine

C12H21NO2S — CID 61309729

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CC3CCC2C3)CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO2S/c1-12(4-5-16(14,15)8-12)13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3
InChIKeyODFMTHZQCFIZQM-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.34
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 61309729) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID61309729
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CC3CCC2C3)CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO2S/c1-12(4-5-16(14,15)8-12)13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3
InChIKeyODFMTHZQCFIZQM-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 61309729) is N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2CC3CCC2C3)CCS(=O)(=O)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is ODFMTHZQCFIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(4-5-16(14,15)8-12)13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 243.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 61309729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).