3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide

C12H18N2O2S — CID 43257138

IUPAC3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-3-6-11(13)9(2)12(8)17(15,16)14-7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3
InChIKeyADOGPDBGCAMZFQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257138) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257138
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C12H18N2O2S/c1-8-3-6-11(13)9(2)12(8)17(15,16)14-7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3
InChIKeyADOGPDBGCAMZFQ-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
CID 104932785
3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 61108348
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
3-amino-2,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide (CID 43257138) is 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCC1CC1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is ADOGPDBGCAMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-6-11(13)9(2)12(8)17(15,16)14-7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).