N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

C14H23NO2S — CID 172536135

IUPACN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCOc1cccc([C@@H](C)NS(=O)C(C)(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-6-17-13-9-7-8-12(10-13)11(2)15-18(16)14(3,4)5/h7-11,15H,6H2,1-5H3/t11-,18?/m1/s1
InChIKeyPNJMNUVFMJJUEV-SSJGJQFISA-N
MW269.41 g/mol
LogP3.20
Rot. Bonds5

About N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 172536135) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID172536135
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCOc1cccc([C@@H](C)NS(=O)C(C)(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-6-17-13-9-7-8-12(10-13)11(2)15-18(16)14(3,4)5/h7-11,15H,6H2,1-5H3/t11-,18?/m1/s1
InChIKeyPNJMNUVFMJJUEV-SSJGJQFISA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide;N-[1-(4-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 161016936
(S)-2-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]propane-2-sulfinamide;(1S)-1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 157229998
N-[(1R)-1-(3,5-diethoxy-4-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163283842
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
tert-butyl-[1-(3-ethoxyphenyl)ethylamino]-oxidosulfanium
CID 175583059
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 172536135) is N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is CCOc1cccc([C@@H](C)NS(=O)C(C)(C)C)c1.
What is the InChIKey of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PNJMNUVFMJJUEV-SSJGJQFISA-N. The full InChI is InChI=1S/C14H23NO2S/c1-6-17-13-9-7-8-12(10-13)11(2)15-18(16)14(3,4)5/h7-11,15H,6H2,1-5H3/t11-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172536135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).