3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 79884606

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

About 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 79884606) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID79884606
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CCCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-11-7-14(16)12(2)15(8-11)21(18,19)17(3)9-13-5-4-6-20-10-13/h7-8,13H,4-6,9-10,16H2,1-3H3
InChIKeyQNBIPBRGYZLOSB-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-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63725570
5-amino-2-fluoro-N,3-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80641939
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
2-bromo-N,5-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 97330561
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63725048
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
CID 63726478
5-chloro-2-methyl-3-[methyl-[[(3R)-oxolan-3-yl]methyl]sulfamoyl]benzoic acid
CID 100688470
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 79884606) is 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CCCOC2)c1.
What is the InChIKey of 3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is QNBIPBRGYZLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-14(16)12(2)15(8-11)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,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
3-amino-N,2,5-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,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79884606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).