N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C11H19NO2S — CID 60694359

IUPACN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC2CCCCC2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10/h6-7,10-12H,1-5,8-9H2
InChIKeyQBEPTLZYPOUYTA-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.47
Rot. Bonds3

About N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 60694359) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID60694359
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC2CCCCC2)C1
InChIInChI=1S/C11H19NO2S/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10/h6-7,10-12H,1-5,8-9H2
InChIKeyQBEPTLZYPOUYTA-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 60694359) is N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is QBEPTLZYPOUYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10/h6-7,10-12H,1-5,8-9H2.
What are the key properties of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 229.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 60694359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).