5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide

C12H18N2O2S — CID 43264630

IUPAC5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1C
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(13)7-12(9(8)2)17(15,16)14(3)11-4-5-11/h6-7,11H,4-5,13H2,1-3H3
InChIKeyPQVLGQPFJKVOSV-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.67
Rot. Bonds3

About 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide

5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide (PubChem CID 43264630) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
PubChem CID43264630
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1C
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(13)7-12(9(8)2)17(15,16)14(3)11-4-5-11/h6-7,11H,4-5,13H2,1-3H3
InChIKeyPQVLGQPFJKVOSV-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.67
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

1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
CID 43264620
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
CID 65021039
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide (CID 43264630) is 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1C.
What is the InChIKey of 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide?
The InChIKey is PQVLGQPFJKVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-10(13)7-12(9(8)2)17(15,16)14(3)11-4-5-11/h6-7,11H,4-5,13H2,1-3H3.
What are the key properties of 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide?
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 43264630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).