3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide

C15H25N3O2S — CID 79352658

IUPAC3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-14(2)13(15(14,3)4)9-18-12-7-6-10(8-11(12)16)21(19,20)17-5/h6-8,13,17-18H,9,16H2,1-5H3
InChIKeyCMLXFLVFBOETQL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide

3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide (PubChem CID 79352658) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
PubChem CID79352658
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-14(2)13(15(14,3)4)9-18-12-7-6-10(8-11(12)16)21(19,20)17-5/h6-8,13,17-18H,9,16H2,1-5H3
InChIKeyCMLXFLVFBOETQL-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80596361
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
3-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 106141042
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469173
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide (CID 79352658) is 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The InChIKey is CMLXFLVFBOETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14(2)13(15(14,3)4)9-18-12-7-6-10(8-11(12)16)21(19,20)17-5/h6-8,13,17-18H,9,16H2,1-5H3.
What are the key properties of 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 79352658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).