1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide

C15H24N2O3S — CID 106062024

IUPAC1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-13(12-16-14-8-9-14)21(18,19)17-10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-17H,5,8-12H2,1H3
InChIKeyJRAQXZUQZIVIHN-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.52
Rot. Bonds10

About 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide (PubChem CID 106062024) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
PubChem CID106062024
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-13(12-16-14-8-9-14)21(18,19)17-10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-17H,5,8-12H2,1H3
InChIKeyJRAQXZUQZIVIHN-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
CID 106068114
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[4-methyl-2-(2-phenoxyethyl)pentyl]cyclopropanamine
CID 62529112
1-(cyclopropylamino)-N-(1-phenylpropyl)propane-2-sulfonamide
CID 106055064
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
CID 114138780
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide (CID 106062024) is 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NCCCOc1ccccc1.
What is the InChIKey of 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide?
The InChIKey is JRAQXZUQZIVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(12-16-14-8-9-14)21(18,19)17-10-5-11-20-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-17H,5,8-12H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide is sourced from PubChem (CID 106062024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).