N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine

C13H19NO3S — CID 64675874

IUPACN-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
SMILESCOc1ccccc1S(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H19NO3S/c1-17-12-5-2-3-6-13(12)18(15,16)10-4-9-14-11-7-8-11/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyYTBUTLKHELIXOU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.61
Rot. Bonds7

About N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine

N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine (PubChem CID 64675874) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
PubChem CID64675874
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine
SMILESCOc1ccccc1S(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H19NO3S/c1-17-12-5-2-3-6-13(12)18(15,16)10-4-9-14-11-7-8-11/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyYTBUTLKHELIXOU-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(trifluoromethyl)phenyl]sulfonylpropyl]cyclopropanamine
CID 106584745
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
CID 161258286
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
CID 66474370
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
CID 104756180
N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine (CID 64675874) is N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine is COc1ccccc1S(=O)(=O)CCCNC1CC1.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine?
The InChIKey is YTBUTLKHELIXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-12-5-2-3-6-13(12)18(15,16)10-4-9-14-11-7-8-11/h2-3,5-6,11,14H,4,7-10H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine?
N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine has a molecular weight of 269.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfonylpropyl]cyclopropanamine is sourced from PubChem (CID 64675874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).