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

C14H22N2O2S — CID 63995025

IUPAC1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O2S/c1-2-14(9-11-6-7-11)16-19(17,18)10-12-4-3-5-13(15)8-12/h3-5,8,11,14,16H,2,6-7,9-10,15H2,1H3
InChIKeyFPQRHXYNWNQBMH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.27
Rot. Bonds7

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

1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide (PubChem CID 63995025) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
PubChem CID63995025
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O2S/c1-2-14(9-11-6-7-11)16-19(17,18)10-12-4-3-5-13(15)8-12/h3-5,8,11,14,16H,2,6-7,9-10,15H2,1H3
InChIKeyFPQRHXYNWNQBMH-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
CID 43317757
1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
CID 60855317
1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 107843569

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide (CID 63995025) is 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide is CCC(CC1CC1)NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide?
The InChIKey is FPQRHXYNWNQBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-14(9-11-6-7-11)16-19(17,18)10-12-4-3-5-13(15)8-12/h3-5,8,11,14,16H,2,6-7,9-10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide?
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 63995025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).