N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C17H25NO2S — CID 63995270

IUPACN-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCS(=O)(=O)c3ccccc32)C(C)C1
InChIInChI=1S/C17H25NO2S/c1-12-7-8-15(13(2)11-12)18-16-9-10-21(19,20)17-6-4-3-5-14(16)17/h3-6,12-13,15-16,18H,7-11H2,1-2H3
InChIKeyZSLQLWHCXVDCRP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.32
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63995270) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63995270
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCC(NC2CCS(=O)(=O)c3ccccc32)C(C)C1
InChIInChI=1S/C17H25NO2S/c1-12-7-8-15(13(2)11-12)18-16-9-10-21(19,20)17-6-4-3-5-14(16)17/h3-6,12-13,15-16,18H,7-11H2,1-2H3
InChIKeyZSLQLWHCXVDCRP-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 63995270) is N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CC1CCC(NC2CCS(=O)(=O)c3ccccc32)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZSLQLWHCXVDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-7-8-15(13(2)11-12)18-16-9-10-21(19,20)17-6-4-3-5-14(16)17/h3-6,12-13,15-16,18H,7-11H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 307.46 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63995270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).