N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

C10H22N2O3S — CID 63246125

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C10H22N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-9,11H2,1H3
InChIKeyHGLNSPSBFZDCRO-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.17
Rot. Bonds9

About N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (PubChem CID 63246125) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
PubChem CID63246125
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C10H22N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-9,11H2,1H3
InChIKeyHGLNSPSBFZDCRO-UHFFFAOYSA-N
XLogP0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (CID 63246125) is N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCCN)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The InChIKey is HGLNSPSBFZDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-15-8-9-16(13,14)12(7-3-6-11)10-4-5-10/h10H,2-9,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63246125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).