2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C14H22N2O2S — CID 63878730

IUPAC2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)CC2CC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-9-6-13(15)14(7-10(9)2)19(17,18)16(4)8-12-5-11(12)3/h6-7,11-12H,5,8,15H2,1-4H3
InChIKeyOXOYEZQPXKJRKR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63878730) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63878730
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)CC2CC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-9-6-13(15)14(7-10(9)2)19(17,18)16(4)8-12-5-11(12)3/h6-7,11-12H,5,8,15H2,1-4H3
InChIKeyOXOYEZQPXKJRKR-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

2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55258237
3-amino-2-bromo-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879925
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82885355
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
N,2,6-trimethyl-4-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107328951
3-bromo-5-(chloromethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81488130
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63878730) is 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)N(C)CC2CC2C)cc1C.
What is the InChIKey of 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is OXOYEZQPXKJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-6-13(15)14(7-10(9)2)19(17,18)16(4)8-12-5-11(12)3/h6-7,11-12H,5,8,15H2,1-4H3.
What are the key properties of 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
2-amino-N,4,5-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 2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63878730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).