1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

C13H22N2O3S — CID 61125836

IUPAC1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(7-4-8-16)19(17,18)10-12-5-3-6-13(14)9-12/h3,5-6,9,11,16H,4,7-8,10,14H2,1-2H3
InChIKeyFBJMFXOAQQUBNX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.19
Rot. Bonds7

About 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 61125836) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID61125836
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(7-4-8-16)19(17,18)10-12-5-3-6-13(14)9-12/h3,5-6,9,11,16H,4,7-8,10,14H2,1-2H3
InChIKeyFBJMFXOAQQUBNX-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.19
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-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176
4-[benzylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829438
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 107733485
N-[(3-aminophenyl)methyl]-2-methyl-N-propan-2-ylpropane-2-sulfonamide
CID 55233408
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
3-(3-aminophenyl)propan-1-ol
CID 10103334
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574734
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
methyl 2-[(3-aminophenyl)methylsulfonyl-propylamino]acetate
CID 61107386

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (CID 61125836) is 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCO)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is FBJMFXOAQQUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)15(7-4-8-16)19(17,18)10-12-5-3-6-13(14)9-12/h3,5-6,9,11,16H,4,7-8,10,14H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 61125836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).