3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide

C12H18N2O3S — CID 43263870

IUPAC3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-3-14(9-4-5-9)18(15,16)10-6-7-12(17-2)11(13)8-10/h6-9H,3-5,13H2,1-2H3
InChIKeyFTRCZPOCYYEAJH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide

3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 43263870) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID43263870
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-3-14(9-4-5-9)18(15,16)10-6-7-12(17-2)11(13)8-10/h6-9H,3-5,13H2,1-2H3
InChIKeyFTRCZPOCYYEAJH-UHFFFAOYSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
CID 35404554
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide (CID 43263870) is 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is FTRCZPOCYYEAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-14(9-4-5-9)18(15,16)10-6-7-12(17-2)11(13)8-10/h6-9H,3-5,13H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide?
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43263870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).