2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide

C9H22N2O3S — CID 63246255

IUPAC2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCNC(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-14-7-8-15(12,13)11-6-5-10-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyCUSQRQQAMBIRMH-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.06
Rot. Bonds9

About 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide

2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide (PubChem CID 63246255) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
PubChem CID63246255
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCCNC(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-14-7-8-15(12,13)11-6-5-10-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyCUSQRQQAMBIRMH-UHFFFAOYSA-N
XLogP-0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.06
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

2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
CID 64539581
2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
CID 103834355

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide (CID 63246255) is 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide is CCOCCS(=O)(=O)NCCNC(C)C.
What is the InChIKey of 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
The InChIKey is CUSQRQQAMBIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-14-7-8-15(12,13)11-6-5-10-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 63246255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).