1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide

C10H12N2O2S — CID 61111385

IUPAC1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H12N2O2S/c1-2-6-12-15(13,14)8-9-4-3-5-10(11)7-9/h1,3-5,7,12H,6,8,11H2
InChIKeyFKODARZUHIHNBB-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.32
Rot. Bonds4

About 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide

1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide (PubChem CID 61111385) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
PubChem CID61111385
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H12N2O2S/c1-2-6-12-15(13,14)8-9-4-3-5-10(11)7-9/h1,3-5,7,12H,6,8,11H2
InChIKeyFKODARZUHIHNBB-UHFFFAOYSA-N
XLogP0.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide (CID 61111385) is 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide is C#CCNS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide?
The InChIKey is FKODARZUHIHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-6-12-15(13,14)8-9-4-3-5-10(11)7-9/h1,3-5,7,12H,6,8,11H2.
What are the key properties of 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide?
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 61111385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).