N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide

C15H21F2NO2S — CID 155687259

IUPACN-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cccc2c1OCCC2(F)F
InChIInChI=1S/C15H21F2NO2S/c1-10(18-21(19)14(2,3)4)11-6-5-7-12-13(11)20-9-8-15(12,16)17/h5-7,10,18H,8-9H2,1-4H3
InChIKeyZSXDCZYWLKOTAM-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 155687259) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID155687259
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC NameN-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cccc2c1OCCC2(F)F
InChIInChI=1S/C15H21F2NO2S/c1-10(18-21(19)14(2,3)4)11-6-5-7-12-13(11)20-9-8-15(12,16)17/h5-7,10,18H,8-9H2,1-4H3
InChIKeyZSXDCZYWLKOTAM-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 155687259) is N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cccc2c1OCCC2(F)F.
What is the InChIKey of N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZSXDCZYWLKOTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-10(18-21(19)14(2,3)4)11-6-5-7-12-13(11)20-9-8-15(12,16)17/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 317.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoro-2,3-dihydrochromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).