1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide

C11H18N2O3S — CID 43256349

IUPAC1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCOCC(C)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O3S/c1-9(7-16-2)13-17(14,15)8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyNMGSFIOKGTXALF-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.72
Rot. Bonds6

About 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide

1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide (PubChem CID 43256349) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
PubChem CID43256349
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
SMILESCOCC(C)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H18N2O3S/c1-9(7-16-2)13-17(14,15)8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyNMGSFIOKGTXALF-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
2-(3-aminophenyl)sulfanyl-N-(4-methoxybutan-2-yl)ethanesulfonamide
CID 64600283
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide (CID 43256349) is 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide is COCC(C)NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide?
The InChIKey is NMGSFIOKGTXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(7-16-2)13-17(14,15)8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide?
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 43256349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).