3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide

C12H18N2O2S — CID 106503553

IUPAC3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C12H18N2O2S/c1-7-6-11(13)9(3)12(8(7)2)17(15,16)14-10-4-5-10/h6,10,14H,4-5,13H2,1-3H3
InChIKeyQGIIPVFMBPWSGO-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide

3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide (PubChem CID 106503553) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
PubChem CID106503553
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C12H18N2O2S/c1-7-6-11(13)9(3)12(8(7)2)17(15,16)14-10-4-5-10/h6,10,14H,4-5,13H2,1-3H3
InChIKeyQGIIPVFMBPWSGO-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.63
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-N-cyclohex-3-en-1-yl-2,5,6-trimethylbenzenesulfonamide
CID 106505035
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 106504779
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
3-amino-N-(1,3-dihydroxypropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505014
3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106504730

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide (CID 106503553) is 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2CC2)c1C.
What is the InChIKey of 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide?
The InChIKey is QGIIPVFMBPWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-6-11(13)9(3)12(8(7)2)17(15,16)14-10-4-5-10/h6,10,14H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide?
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 106503553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).