7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H18ClNO3S — CID 64659640

IUPAC7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1S(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3S/c15-10-3-1-2-4-12(10)20(17)13-9-14(6-5-11(13)16)18-7-8-19-14/h1-4,11,13H,5-9,16H2
InChIKeyOHEXJGUAANOEEL-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.07
Rot. Bonds2

About 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64659640) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64659640
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1S(=O)c1ccccc1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3S/c15-10-3-1-2-4-12(10)20(17)13-9-14(6-5-11(13)16)18-7-8-19-14/h1-4,11,13H,5-9,16H2
InChIKeyOHEXJGUAANOEEL-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64659640) is 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1S(=O)c1ccccc1Cl)OCCO2.
What is the InChIKey of 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OHEXJGUAANOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c15-10-3-1-2-4-12(10)20(17)13-9-14(6-5-11(13)16)18-7-8-19-14/h1-4,11,13H,5-9,16H2.
What are the key properties of 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 315.82 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64659640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).