(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide

C19H29NO2S — CID 170578969

IUPAC(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=CC1(CCOCc2ccccc2)CCCC1
InChIInChI=1S/C19H29NO2S/c1-18(2,3)23(21)20-16-19(11-7-8-12-19)13-14-22-15-17-9-5-4-6-10-17/h4-6,9-10,16H,7-8,11-15H2,1-3H3/t23-/m1/s1
InChIKeyLGTUHOUPMDSZBJ-HSZRJFAPSA-N
MW335.51 g/mol
LogP4.69
Rot. Bonds7

About (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide

(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide (PubChem CID 170578969) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide
PubChem CID170578969
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=CC1(CCOCc2ccccc2)CCCC1
InChIInChI=1S/C19H29NO2S/c1-18(2,3)23(21)20-16-19(11-7-8-12-19)13-14-22-15-17-9-5-4-6-10-17/h4-6,9-10,16H,7-8,11-15H2,1-3H3/t23-/m1/s1
InChIKeyLGTUHOUPMDSZBJ-HSZRJFAPSA-N
XLogP4.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,R)-2-methyl-N-[[4-(2-phenylmethoxyethyl)cyclohexyl]methylidene]propane-2-sulfinamide
CID 90205741
(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
CID 129053216
benzyl-[1-(tert-butylsulfinyliminomethyl)cyclopropyl]carbamic acid
CID 67515393
(NE,R)-N-[[4,5-dimethoxy-2-(2-phenylmethoxyethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 11036868
N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
CID 154038981
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
benzyl (4E)-4-tert-butylsulfinyliminobutanoate
CID 156777650
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide (CID 170578969) is (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=CC1(CCOCc2ccccc2)CCCC1.
What is the InChIKey of (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide?
The InChIKey is LGTUHOUPMDSZBJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-18(2,3)23(21)20-16-19(11-7-8-12-19)13-14-22-15-17-9-5-4-6-10-17/h4-6,9-10,16H,7-8,11-15H2,1-3H3/t23-/m1/s1.
What are the key properties of (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide?
(R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide has a molecular weight of 335.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[[1-(2-phenylmethoxyethyl)cyclopentyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 170578969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).