2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide

C16H21NO2S — CID 102392141

IUPAC2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ccoc1[C@@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H21NO2S/c1-12-10-11-19-15(12)14(13-8-6-5-7-9-13)17-20(18)16(2,3)4/h5-11,14,17H,1-4H3/t14-,20?/m0/s1
InChIKeyREYIELSQFHCPEL-PVCZSOGJSA-N
MW291.42 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide

2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide (PubChem CID 102392141) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
PubChem CID102392141
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ccoc1[C@@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H21NO2S/c1-12-10-11-19-15(12)14(13-8-6-5-7-9-13)17-20(18)16(2,3)4/h5-11,14,17H,1-4H3/t14-,20?/m0/s1
InChIKeyREYIELSQFHCPEL-PVCZSOGJSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
CID 58048573
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(S)-(3-amino-4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 118355988
N-[(1R)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211942
N-[(1S)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211943
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 43496415
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
CID 90708102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide (CID 102392141) is 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide is Cc1ccoc1[C@@H](NS(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide?
The InChIKey is REYIELSQFHCPEL-PVCZSOGJSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12-10-11-19-15(12)14(13-8-6-5-7-9-13)17-20(18)16(2,3)4/h5-11,14,17H,1-4H3/t14-,20?/m0/s1.
What are the key properties of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide?
2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide has a molecular weight of 291.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide is sourced from PubChem (CID 102392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).