N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

C13H25NO2S — CID 64762994

IUPACN-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CCCC(NC2(C)CCS(=O)(=O)C2)C1C
InChIInChI=1S/C13H25NO2S/c1-10-5-4-6-12(11(10)2)14-13(3)7-8-17(15,16)9-13/h10-12,14H,4-9H2,1-3H3
InChIKeyHYCILPIPWPNXKU-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.98
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 64762994) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID64762994
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CCCC(NC2(C)CCS(=O)(=O)C2)C1C
InChIInChI=1S/C13H25NO2S/c1-10-5-4-6-12(11(10)2)14-13(3)7-8-17(15,16)9-13/h10-12,14H,4-9H2,1-3H3
InChIKeyHYCILPIPWPNXKU-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 64762994) is N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1CCCC(NC2(C)CCS(=O)(=O)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is HYCILPIPWPNXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10-5-4-6-12(11(10)2)14-13(3)7-8-17(15,16)9-13/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 259.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).