2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 103171510

IUPAC2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC2CCOCC2)c1N
InChIInChI=1S/C15H24N2O3S/c1-11-4-5-12(2)15(14(11)16)21(18,19)17(3)10-13-6-8-20-9-7-13/h4-5,13H,6-10,16H2,1-3H3
InChIKeyNINHJLQDBMQSTN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 103171510) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID103171510
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC2CCOCC2)c1N
InChIInChI=1S/C15H24N2O3S/c1-11-4-5-12(2)15(14(11)16)21(18,19)17(3)10-13-6-8-20-9-7-13/h4-5,13H,6-10,16H2,1-3H3
InChIKeyNINHJLQDBMQSTN-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

2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726437
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171508
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 103171510) is 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC2CCOCC2)c1N.
What is the InChIKey of 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is NINHJLQDBMQSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-4-5-12(2)15(14(11)16)21(18,19)17(3)10-13-6-8-20-9-7-13/h4-5,13H,6-10,16H2,1-3H3.
What are the key properties of 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
2-amino-N,3,6-trimethyl-N-(oxan-4-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 2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).