N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide

C8H18N2O3S — CID 64989285

IUPACN-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
SMILESNCCOCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O3S/c9-3-5-13-6-4-10-14(11,12)7-8-1-2-8/h8,10H,1-7,9H2
InChIKeyWPDDZLIDYPBCKR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.71
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide

N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 64989285) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID64989285
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
SMILESNCCOCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O3S/c9-3-5-13-6-4-10-14(11,12)7-8-1-2-8/h8,10H,1-7,9H2
InChIKeyWPDDZLIDYPBCKR-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.71
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide (CID 64989285) is N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide is NCCOCCNS(=O)(=O)CC1CC1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is WPDDZLIDYPBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-3-5-13-6-4-10-14(11,12)7-8-1-2-8/h8,10H,1-7,9H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64989285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).