N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

C15H29NO2S — CID 43679757

IUPACN-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCC(C(C)(C)C)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)12-5-7-13(8-6-12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyMYXBCVWCRJAFHR-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679757) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679757
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCC(C(C)(C)C)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)12-5-7-13(8-6-12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyMYXBCVWCRJAFHR-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 43679757) is N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2CCC(C(C)(C)C)CC2)CCS(=O)(=O)C1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is MYXBCVWCRJAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-14(2,3)12-5-7-13(8-6-12)16-15(4)9-10-19(17,18)11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 287.47 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).