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

C16H27NOS — CID 135005703

IUPAC(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
SMILESCCCCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOS/c1-5-6-8-13-15(14-11-9-7-10-12-14)17-19(18)16(2,3)4/h7,9-12,15,17H,5-6,8,13H2,1-4H3/t15-,19-/m1/s1
InChIKeyUVCUQLGMIPCFAR-DNVCBOLYSA-N
MW281.46 g/mol
LogP4.36
Rot. Bonds7

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

(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide (PubChem CID 135005703) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
PubChem CID135005703
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
SMILESCCCCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOS/c1-5-6-8-13-15(14-11-9-7-10-12-14)17-19(18)16(2,3)4/h7,9-12,15,17H,5-6,8,13H2,1-4H3/t15-,19-/m1/s1
InChIKeyUVCUQLGMIPCFAR-DNVCBOLYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
methyl 4-[(1R)-1-aminohexyl]benzoate;methyl 4-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]hexyl]benzoate
CID 159493673
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
1-phenylhexylcarbamic acid
CID 21477897
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide (CID 135005703) is (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide is CCCCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?
The InChIKey is UVCUQLGMIPCFAR-DNVCBOLYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-6-8-13-15(14-11-9-7-10-12-14)17-19(18)16(2,3)4/h7,9-12,15,17H,5-6,8,13H2,1-4H3/t15-,19-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide has a molecular weight of 281.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide is sourced from PubChem (CID 135005703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).