N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide

C14H22N2O3S — CID 82744052

IUPACN-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyFPUDAYMXVNGJNZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.92
Rot. Bonds6

About N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide

N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 82744052) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
PubChem CID82744052
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyFPUDAYMXVNGJNZ-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 62145160
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
N-methyl-N-[(3S)-oxolan-3-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 99859364
6-(ethylamino)-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744212
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748017
4-(cyanomethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 79477174
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide (CID 82744052) is N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(C)C2CCOC2)cc1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is FPUDAYMXVNGJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide?
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 82744052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).