3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C13H20N2O2S — CID 63879068

IUPAC3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C13H20N2O2S/c1-9-7-11(9)8-15(3)18(16,17)13-6-4-5-12(14)10(13)2/h4-6,9,11H,7-8,14H2,1-3H3
InChIKeyIWAGDOPZPONXQZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63879068) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63879068
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C13H20N2O2S/c1-9-7-11(9)8-15(3)18(16,17)13-6-4-5-12(14)10(13)2/h4-6,9,11H,7-8,14H2,1-3H3
InChIKeyIWAGDOPZPONXQZ-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63275930
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55258237
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257127
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63879068) is 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)CC1CC1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is IWAGDOPZPONXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-11(9)8-15(3)18(16,17)13-6-4-5-12(14)10(13)2/h4-6,9,11H,7-8,14H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63879068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).