1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide

C13H20N2O3S — CID 106031224

IUPAC1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(9-14-11-3-4-11)19(16,17)15-12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyYBMAXOOCKXDKFT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.58
Rot. Bonds7

About 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide (PubChem CID 106031224) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
PubChem CID106031224
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(C)CNC2CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(9-14-11-3-4-11)19(16,17)15-12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15H,3-4,9H2,1-2H3
InChIKeyYBMAXOOCKXDKFT-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
N-(4-methoxyphenyl)nonane-2-sulfonamide
CID 126695087
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
CID 117036414

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide (CID 106031224) is 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide is COc1ccc(NS(=O)(=O)C(C)CNC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide?
The InChIKey is YBMAXOOCKXDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(9-14-11-3-4-11)19(16,17)15-12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15H,3-4,9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.58, 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-methoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106031224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).