4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

C15H24N2O3S — CID 61109788

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-10-14(16)6-7-15(11)21(18,19)17(8-9-20-3)12(2)13-4-5-13/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3
InChIKeyDYODZXRZIAVFNX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.01
Rot. Bonds7

About 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (PubChem CID 61109788) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
PubChem CID61109788
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-10-14(16)6-7-15(11)21(18,19)17(8-9-20-3)12(2)13-4-5-13/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3
InChIKeyDYODZXRZIAVFNX-UHFFFAOYSA-N
XLogP2.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.01
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

4-Methyl-3-(morpholine-4-sulfonyl)aniline
CID 570632
N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 24946000
N-(cyclopropylmethyl)-4-(3-methoxypropylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 24946179
o-Toluenesulfonamide, 4-amino-N-(2-hydroxyethyl)-
CID 3052695
4-amino-N,N,2-trimethylbenzene-1-sulfonamide
CID 43257972
4-(4-Methoxypiperidin-1-yl)sulfonyl-3-(trifluoromethyl)aniline
CID 21519192
N-(cyclopropylmethyl)-2-(fluoromethyl)-4-(morpholin-4-ylamino)benzenesulfonamide
CID 70908266
N-(cyclopropylmethoxy)-4-(4-methylideneheptan-3-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 89090641
Benzenesulfonamide, 4-amino-N-(oxiranylmethyl)-N-(1-phenylethyl)-
CID 190086
4-amino-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006889
4-amino-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61104959
4-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105678

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (CID 61109788) is 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is COCCN(C(C)C1CC1)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is DYODZXRZIAVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-10-14(16)6-7-15(11)21(18,19)17(8-9-20-3)12(2)13-4-5-13/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61109788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).