3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H18N2O3S — CID 61116503

IUPAC3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C12H18N2O3S/c1-9-4-11(13)6-12(5-9)18(15,16)14-7-10-2-3-17-8-10/h4-6,10,14H,2-3,7-8,13H2,1H3
InChIKeyHUYCJKYQWYWYEO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.89
Rot. Bonds4

About 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61116503) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61116503
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C12H18N2O3S/c1-9-4-11(13)6-12(5-9)18(15,16)14-7-10-2-3-17-8-10/h4-6,10,14H,2-3,7-8,13H2,1H3
InChIKeyHUYCJKYQWYWYEO-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
3,5-dimethyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide
CID 56915452
4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 61300759
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
3-amino-5-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463608
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61116503) is 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC2CCOC2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is HUYCJKYQWYWYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-11(13)6-12(5-9)18(15,16)14-7-10-2-3-17-8-10/h4-6,10,14H,2-3,7-8,13H2,1H3.
What are the key properties of 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61116503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).