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

C14H22N2O2S — CID 55258237

IUPAC6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(C)CC2CC2C)c1C
InChIInChI=1S/C14H22N2O2S/c1-9-5-6-13(15)14(11(9)3)19(17,18)16(4)8-12-7-10(12)2/h5-6,10,12H,7-8,15H2,1-4H3
InChIKeyIDEFGOHDXQQWAF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 55258237) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID55258237
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(C)CC2CC2C)c1C
InChIInChI=1S/C14H22N2O2S/c1-9-5-6-13(15)14(11(9)3)19(17,18)16(4)8-12-7-10(12)2/h5-6,10,12H,7-8,15H2,1-4H3
InChIKeyIDEFGOHDXQQWAF-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
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

3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107328951
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide
CID 106505055
6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740652
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858811

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 55258237) is 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)N(C)CC2CC2C)c1C.
What is the InChIKey of 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is IDEFGOHDXQQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-5-6-13(15)14(11(9)3)19(17,18)16(4)8-12-7-10(12)2/h5-6,10,12H,7-8,15H2,1-4H3.
What are the key properties of 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55258237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).