N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine

C14H27NO2S — CID 43177570

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCC1CCC(C(C)C)C(NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H27NO2S/c1-10(2)13-5-4-11(3)8-14(13)15-12-6-7-18(16,17)9-12/h10-15H,4-9H2,1-3H3
InChIKeyLOCFYIBOCMRLFR-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.22
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine (PubChem CID 43177570) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine
PubChem CID43177570
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCC1CCC(C(C)C)C(NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H27NO2S/c1-10(2)13-5-4-11(3)8-14(13)15-12-6-7-18(16,17)9-12/h10-15H,4-9H2,1-3H3
InChIKeyLOCFYIBOCMRLFR-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine (CID 43177570) is N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine is CC1CCC(C(C)C)C(NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine?
The InChIKey is LOCFYIBOCMRLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10(2)13-5-4-11(3)8-14(13)15-12-6-7-18(16,17)9-12/h10-15H,4-9H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine has a molecular weight of 273.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43177570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).