N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine

C9H18N2O3S — CID 114386504

IUPACN-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
SMILESC=C(C)COCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N2O3S/c1-8(2)7-14-6-5-10-15(12,13)11-9-3-4-9/h9-11H,1,3-7H2,2H3
InChIKeyUAPUVBBSNXRATI-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.17
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine

N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine (PubChem CID 114386504) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
PubChem CID114386504
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
SMILESC=C(C)COCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N2O3S/c1-8(2)7-14-6-5-10-15(12,13)11-9-3-4-9/h9-11H,1,3-7H2,2H3
InChIKeyUAPUVBBSNXRATI-UHFFFAOYSA-N
XLogP0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine
CID 110612730
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
CID 114466800
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257
N-(2-methoxyethylsulfamoyl)piperidin-4-amine
CID 114814237
2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
CID 114465485
(cyclopropylsulfamoylamino)methanol
CID 117126061
N-cyclopropyl-2-methylprop-2-ene-1-sulfonamide
CID 131208683
5-(cyclopropylsulfamoylamino)pentan-1-ol
CID 107319496
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
CID 114465933
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
CID 103949069

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine (CID 114386504) is N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine is C=C(C)COCCNS(=O)(=O)NC1CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine?
The InChIKey is UAPUVBBSNXRATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(2)7-14-6-5-10-15(12,13)11-9-3-4-9/h9-11H,1,3-7H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine?
N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine has a molecular weight of 234.32 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine is sourced from PubChem (CID 114386504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).