N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine

C17H25NO2S — CID 115531935

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2c3ccccc3CCC2(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO2S/c1-16(2)9-8-13-6-4-5-7-14(13)15(16)18-17(3)10-11-21(19,20)12-17/h4-7,15,18H,8-12H2,1-3H3
InChIKeyCCUYGYSXLGLCQO-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.87
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 115531935) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID115531935
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2c3ccccc3CCC2(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO2S/c1-16(2)9-8-13-6-4-5-7-14(13)15(16)18-17(3)10-11-21(19,20)12-17/h4-7,15,18H,8-12H2,1-3H3
InChIKeyCCUYGYSXLGLCQO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine (CID 115531935) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2c3ccccc3CCC2(C)C)CCS(=O)(=O)C1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is CCUYGYSXLGLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-16(2)9-8-13-6-4-5-7-14(13)15(16)18-17(3)10-11-21(19,20)12-17/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 307.46 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 115531935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).