1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide

C10H16N2O3S — CID 107212663

IUPAC1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-8(6-13)12-16(14,15)7-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m0/s1
InChIKeyLIKQTFDWMUEJEM-QMMMGPOBSA-N
MW244.32 g/mol
LogP0.07
Rot. Bonds5

About 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide

1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide (PubChem CID 107212663) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
PubChem CID107212663
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-8(6-13)12-16(14,15)7-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m0/s1
InChIKeyLIKQTFDWMUEJEM-QMMMGPOBSA-N
XLogP0.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
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-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
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)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide (CID 107212663) is 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide is C[C@@H](CO)NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide?
The InChIKey is LIKQTFDWMUEJEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(6-13)12-16(14,15)7-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7,11H2,1H3/t8-/m0/s1.
What are the key properties of 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide?
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide is sourced from PubChem (CID 107212663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).