N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

C12H18N2O3S — CID 63246840

IUPACN-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCO2)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-7-10(4-5-12(9)13)14-18(15,16)8-11-3-2-6-17-11/h4-5,7,11,14H,2-3,6,8,13H2,1H3
InChIKeyUOXDKKGWXIGWTE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.50
Rot. Bonds4

About N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246840) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246840
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCO2)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-7-10(4-5-12(9)13)14-18(15,16)8-11-3-2-6-17-11/h4-5,7,11,14H,2-3,6,8,13H2,1H3
InChIKeyUOXDKKGWXIGWTE-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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

N-(2-amino-6-bromo-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 116813798
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
2-(4-amino-3-methylanilino)-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 58586709
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246840) is N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)CC2CCCO2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is UOXDKKGWXIGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-7-10(4-5-12(9)13)14-18(15,16)8-11-3-2-6-17-11/h4-5,7,11,14H,2-3,6,8,13H2,1H3.
What are the key properties of N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).