(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide

C14H23NO2S — CID 137479573

IUPAC(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)CCc2occc2[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-13(2,3)18(16)15-12-10-7-9-17-11(10)6-8-14(12,4)5/h7,9,12,15H,6,8H2,1-5H3/t12-,18-/m1/s1
InChIKeyCLSUIYBRZIKOGS-KZULUSFZSA-N
MW269.41 g/mol
LogP3.34
Rot. Bonds2

About (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 137479573) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID137479573
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)CCc2occc2[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-13(2,3)18(16)15-12-10-7-9-17-11(10)6-8-14(12,4)5/h7,9,12,15H,6,8H2,1-5H3/t12-,18-/m1/s1
InChIKeyCLSUIYBRZIKOGS-KZULUSFZSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

4,5,6,7-Tetrahydro-1-benzofuran-4-amine
CID 18525171
2,6,6-Trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 24697785
4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
CID 42950011
4,4-Dimethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pentan-2-ol
CID 86806739
N-[2-(2-methylsulfonylethoxy)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 119050053
(R)-N-[(1R)-1-(3-fluoro-1-benzofuran-7-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 141688048
(R)-N-[(R)-furan-2-yl(phenyl)methyl]-2-methylpropane-2-sulfinamide
CID 57331869
(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941102
3-fluoro-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzenesulfonamide
CID 25629579
3-fluoro-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzenesulfonamide
CID 25629581
4-fluoro-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzenesulfonamide
CID 25637922
4-fluoro-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzenesulfonamide
CID 25637924

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide (CID 137479573) is (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide is CC1(C)CCc2occc2[C@H]1N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CLSUIYBRZIKOGS-KZULUSFZSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-13(2,3)18(16)15-12-10-7-9-17-11(10)6-8-14(12,4)5/h7,9,12,15H,6,8H2,1-5H3/t12-,18-/m1/s1.
What are the key properties of (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S)-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 137479573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).