3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide

C14H22N2O3S — CID 106505264

IUPAC3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCOC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-7-13(15)11(3)14(10(9)2)20(17,18)16(4)12-5-6-19-8-12/h7,12H,5-6,8,15H2,1-4H3
InChIKeyPBVGWAZBSFBOSA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide

3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 106505264) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID106505264
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCOC2)c1C
InChIInChI=1S/C14H22N2O3S/c1-9-7-13(15)11(3)14(10(9)2)20(17,18)16(4)12-5-6-19-8-12/h7,12H,5-6,8,15H2,1-4H3
InChIKeyPBVGWAZBSFBOSA-UHFFFAOYSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,4,5-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740817
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
2-amino-N-methyl-N-(oxolan-3-yl)pyridine-4-sulfonamide
CID 82743975
3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610678
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide (CID 106505264) is 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCOC2)c1C.
What is the InChIKey of 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is PBVGWAZBSFBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-7-13(15)11(3)14(10(9)2)20(17,18)16(4)12-5-6-19-8-12/h7,12H,5-6,8,15H2,1-4H3.
What are the key properties of 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide?
3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106505264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).