3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide

C16H27N3O3S — CID 42851143

IUPAC3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)C1CON(C)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)10-17-23(20,21)15-11-22-19(5)16(15)13-6-8-14(9-7-13)18(3)4/h6-9,12,15-17H,10-11H2,1-5H3
InChIKeyMFNLOOHRBHOBDA-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.61
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide

3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42851143) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42851143
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)C1CON(C)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)10-17-23(20,21)15-11-22-19(5)16(15)13-6-8-14(9-7-13)18(3)4/h6-9,12,15-17H,10-11H2,1-5H3
InChIKeyMFNLOOHRBHOBDA-UHFFFAOYSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869390
3-[4-(dimethylamino)phenyl]-2-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazolidine-4-sulfonamide
CID 42869391
(3S,4S)-2-methyl-3-(4-propan-2-ylphenyl)-N-(2-pyridin-2-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000491
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
3-(3-cyanophenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
CID 42869600
(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 129429017
(3S,4R)-2-methyl-3-(3-phenoxyphenyl)-N-prop-2-enyl-1,2-oxazolidine-4-sulfonamide
CID 100898283
3-(furan-2-yl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869504
3-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869493

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide (CID 42851143) is 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide is CC(C)CNS(=O)(=O)C1CON(C)C1c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is MFNLOOHRBHOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12(2)10-17-23(20,21)15-11-22-19(5)16(15)13-6-8-14(9-7-13)18(3)4/h6-9,12,15-17H,10-11H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide?
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42851143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).