1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide

C14H22N2O3S — CID 106056014

IUPAC1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC2CC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-10-8-13(19-3)6-7-14(10)16-20(17,18)11(2)9-15-12-4-5-12/h6-8,11-12,15-16H,4-5,9H2,1-3H3
InChIKeyIVZOXSVRWSXSCS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.89
Rot. Bonds7

About 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide (PubChem CID 106056014) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
PubChem CID106056014
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC2CC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-10-8-13(19-3)6-7-14(10)16-20(17,18)11(2)9-15-12-4-5-12/h6-8,11-12,15-16H,4-5,9H2,1-3H3
InChIKeyIVZOXSVRWSXSCS-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
CID 106001978
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide (CID 106056014) is 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide is COc1ccc(NS(=O)(=O)C(C)CNC2CC2)c(C)c1.
What is the InChIKey of 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide?
The InChIKey is IVZOXSVRWSXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-13(19-3)6-7-14(10)16-20(17,18)11(2)9-15-12-4-5-12/h6-8,11-12,15-16H,4-5,9H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106056014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).