3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 63725570

IUPAC3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCOC2)cc(N)c1C
InChIInChI=1S/C15H24N2O3S/c1-11-7-14(8-15(16)12(11)2)21(18,19)17(3)9-13-5-4-6-20-10-13/h7-8,13H,4-6,9-10,16H2,1-3H3
InChIKeyNYNHVROJJDPUEX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 63725570) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID63725570
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCOC2)cc(N)c1C
InChIInChI=1S/C15H24N2O3S/c1-11-7-14(8-15(16)12(11)2)21(18,19)17(3)9-13-5-4-6-20-10-13/h7-8,13H,4-6,9-10,16H2,1-3H3
InChIKeyNYNHVROJJDPUEX-UHFFFAOYSA-N
XLogP1.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
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,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79884606
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
3-amino-N,4,5-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740817
5-amino-2-fluoro-N,3-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80641939
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606386
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 63725570) is 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCCOC2)cc(N)c1C.
What is the InChIKey of 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is NYNHVROJJDPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-14(8-15(16)12(11)2)21(18,19)17(3)9-13-5-4-6-20-10-13/h7-8,13H,4-6,9-10,16H2,1-3H3.
What are the key properties of 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63725570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).