2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide

C13H17NOS — CID 122211944

IUPAC2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
SMILESC#C[C@@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h1,6-10,12,14H,2-4H3/t12-,16?/m1/s1
InChIKeyQOJAVAIJMOCNQD-ZGTOLYCTSA-N
MW235.35 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide (PubChem CID 122211944) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
PubChem CID122211944
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
SMILESC#C[C@@H](NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h1,6-10,12,14H,2-4H3/t12-,16?/m1/s1
InChIKeyQOJAVAIJMOCNQD-ZGTOLYCTSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(S)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-ynyl]propane-2-sulfinamide
CID 165386588
(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
CID 102173687
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide (CID 122211944) is 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide is C#C[C@@H](NS(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide?
The InChIKey is QOJAVAIJMOCNQD-ZGTOLYCTSA-N. The full InChI is InChI=1S/C13H17NOS/c1-5-12(11-9-7-6-8-10-11)14-16(15)13(2,3)4/h1,6-10,12,14H,2-4H3/t12-,16?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide has a molecular weight of 235.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide is sourced from PubChem (CID 122211944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).