3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide

C11H18N2O3S — CID 62536999

IUPAC3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
SMILESCOCC(C)Nc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C11H18N2O3S/c1-8-4-5-10(17(12,14)15)6-11(8)13-9(2)7-16-3/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15)
InChIKeyHETQGVUXCSFTKQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.09
Rot. Bonds5

About 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide

3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide (PubChem CID 62536999) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
PubChem CID62536999
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
SMILESCOCC(C)Nc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C11H18N2O3S/c1-8-4-5-10(17(12,14)15)6-11(8)13-9(2)7-16-3/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15)
InChIKeyHETQGVUXCSFTKQ-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
4-amino-3-[(1-methoxy-3-methylbutan-2-yl)amino]benzenesulfonamide
CID 82898469
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
CID 79541051
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 43744252

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide (CID 62536999) is 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide is COCC(C)Nc1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide?
The InChIKey is HETQGVUXCSFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-4-5-10(17(12,14)15)6-11(8)13-9(2)7-16-3/h4-6,9,13H,7H2,1-3H3,(H2,12,14,15).
What are the key properties of 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide?
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide is sourced from PubChem (CID 62536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).