1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide

C14H22N2O4S — CID 106058868

IUPAC1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)C(C)CNC2CC2)c1
InChIInChI=1S/C14H22N2O4S/c1-10(9-15-11-4-5-11)21(17,18)16-13-8-12(19-2)6-7-14(13)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyZQWMPJRZVQFYNU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.59
Rot. Bonds8

About 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide (PubChem CID 106058868) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
PubChem CID106058868
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)C(C)CNC2CC2)c1
InChIInChI=1S/C14H22N2O4S/c1-10(9-15-11-4-5-11)21(17,18)16-13-8-12(19-2)6-7-14(13)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyZQWMPJRZVQFYNU-UHFFFAOYSA-N
XLogP1.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 64665840
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide (CID 106058868) is 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)C(C)CNC2CC2)c1.
What is the InChIKey of 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide?
The InChIKey is ZQWMPJRZVQFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(9-15-11-4-5-11)21(17,18)16-13-8-12(19-2)6-7-14(13)20-3/h6-8,10-11,15-16H,4-5,9H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106058868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).