2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide

C13H20N2O2S — CID 60985638

IUPAC2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)CC2CC2)cc1C
InChIInChI=1S/C13H20N2O2S/c1-9-6-12(14)13(7-10(9)2)18(16,17)15(3)8-11-4-5-11/h6-7,11H,4-5,8,14H2,1-3H3
InChIKeyWGCIYRHAWSCBPM-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide

2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide (PubChem CID 60985638) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
PubChem CID60985638
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)CC2CC2)cc1C
InChIInChI=1S/C13H20N2O2S/c1-9-6-12(14)13(7-10(9)2)18(16,17)15(3)8-11-4-5-11/h6-7,11H,4-5,8,14H2,1-3H3
InChIKeyWGCIYRHAWSCBPM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
2-amino-N-(cyclopropylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62145505
2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 64900648
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 102945989
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide (CID 60985638) is 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)N(C)CC2CC2)cc1C.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide?
The InChIKey is WGCIYRHAWSCBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-6-12(14)13(7-10(9)2)18(16,17)15(3)8-11-4-5-11/h6-7,11H,4-5,8,14H2,1-3H3.
What are the key properties of 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide?
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 60985638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).