N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H17NO2S — CID 21179748

IUPACN-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NC2CCCCC2)C1
InChIInChI=1S/C10H17NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2
InChIKeyJKWIZBPYWZCBHJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.22
Rot. Bonds2

About N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 21179748) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID21179748
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NC2CCCCC2)C1
InChIInChI=1S/C10H17NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2
InChIKeyJKWIZBPYWZCBHJ-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 21179748) is N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is JKWIZBPYWZCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h6-7,9-11H,1-5,8H2.
What are the key properties of N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 215.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 21179748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).