(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide

C15H24N2O3S — CID 11174421

IUPAC(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide
SMILESCCC[C@@H](CC(=O)N(C)OC)N[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-6-13(11-15(18)17(3)20-4)16-21(19)14-9-7-12(2)8-10-14/h7-10,13,16H,5-6,11H2,1-4H3/t13-,21-/m0/s1
InChIKeySZTJDZSGRQQXHG-ZSEKCTLFSA-N
MW312.44 g/mol
LogP2.19
Rot. Bonds8

About (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide

(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide (PubChem CID 11174421) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide
PubChem CID11174421
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide
SMILESCCC[C@@H](CC(=O)N(C)OC)N[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-6-13(11-15(18)17(3)20-4)16-21(19)14-9-7-12(2)8-10-14/h7-10,13,16H,5-6,11H2,1-4H3/t13-,21-/m0/s1
InChIKeySZTJDZSGRQQXHG-ZSEKCTLFSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-methoxy-N,2-dimethyl-3-[(4-methylphenyl)sulfinylamino]pentanamide
CID 102085256
(3R)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 11407320
(2R)-N-methoxy-N-methyl-2-[(1S)-1-[[(S)-(4-methylphenyl)sulfinyl]amino]prop-2-enyl]hept-6-enamide
CID 46704001
ethyl (2R)-2-[(4-methylphenyl)sulfinylamino]-3-phenylpropanoate
CID 100970431
ethyl 2-[(4-methylphenyl)sulfinylamino]-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)acetate
CID 122232481
ethyl 3-(4-methylanilino)hexanoate
CID 155464444
4-[4-[3-[methoxy(methyl)amino]-1-(4-methylphenyl)-3-oxopropyl]phenyl]benzoic acid
CID 87237170
ethyl (3S)-2,2-difluoro-4-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]pentanoate
CID 11088911
CID 174111719
CID 174111719
N-[1-(dimethylamino)propan-2-yl]-4-methylbenzenesulfinamide;ethane
CID 142604034
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
tert-butyl (5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-9-phenylmethoxynonanoate
CID 11038252

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide?
The IUPAC name of (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide (CID 11174421) is (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide.
What is the SMILES notation for (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide?
The canonical SMILES for (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide is CCC[C@@H](CC(=O)N(C)OC)N[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide?
The InChIKey is SZTJDZSGRQQXHG-ZSEKCTLFSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-6-13(11-15(18)17(3)20-4)16-21(19)14-9-7-12(2)8-10-14/h7-10,13,16H,5-6,11H2,1-4H3/t13-,21-/m0/s1.
What are the key properties of (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide?
(3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide has a molecular weight of 312.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanamide is sourced from PubChem (CID 11174421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).