4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide

C14H25N3O3S — CID 61476398

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)12(9-17(3)4)16-21(18,19)14-7-6-11(15)8-13(14)20-5/h6-8,10,12,16H,9,15H2,1-5H3
InChIKeyMBBRRLNODBVAQL-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.14
Rot. Bonds7

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide (PubChem CID 61476398) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
PubChem CID61476398
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C14H25N3O3S/c1-10(2)12(9-17(3)4)16-21(18,19)14-7-6-11(15)8-13(14)20-5/h6-8,10,12,16H,9,15H2,1-5H3
InChIKeyMBBRRLNODBVAQL-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049698
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide (CID 61476398) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide?
The InChIKey is MBBRRLNODBVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10(2)12(9-17(3)4)16-21(18,19)14-7-6-11(15)8-13(14)20-5/h6-8,10,12,16H,9,15H2,1-5H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61476398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).