2-[3-(ethylamino)propylsulfonyl]ethanol

C7H17NO3S — CID 19797796

IUPAC2-[3-(ethylamino)propylsulfonyl]ethanol
SMILESCCNCCCS(=O)(=O)CCO
InChIInChI=1S/C7H17NO3S/c1-2-8-4-3-6-12(10,11)7-5-9/h8-9H,2-7H2,1H3
InChIKeyNQWILLUUVLZXII-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.61
Rot. Bonds7

About 2-[3-(ethylamino)propylsulfonyl]ethanol

2-[3-(ethylamino)propylsulfonyl]ethanol (PubChem CID 19797796) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)propylsulfonyl]ethanol
PubChem CID19797796
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-[3-(ethylamino)propylsulfonyl]ethanol
SMILESCCNCCCS(=O)(=O)CCO
InChIInChI=1S/C7H17NO3S/c1-2-8-4-3-6-12(10,11)7-5-9/h8-9H,2-7H2,1H3
InChIKeyNQWILLUUVLZXII-UHFFFAOYSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.61
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

tert-butyl 2-[3-(ethylamino)propylsulfonyl]acetate
CID 116687637
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
2-(ethylamino)ethanol
CID 170923531
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
4-butylsulfonylbutan-1-ol
CID 12943305
2-(ethylamino)ethanol;hydrate
CID 174456532
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
1-(ethylamino)-5-propylsulfonylpentan-3-one
CID 106736352
5-ethylsulfonylpentan-1-ol
CID 62353355

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylsulfonyl]ethanol?
The IUPAC name of 2-[3-(ethylamino)propylsulfonyl]ethanol (CID 19797796) is 2-[3-(ethylamino)propylsulfonyl]ethanol.
What is the SMILES notation for 2-[3-(ethylamino)propylsulfonyl]ethanol?
The canonical SMILES for 2-[3-(ethylamino)propylsulfonyl]ethanol is CCNCCCS(=O)(=O)CCO.
What is the InChIKey of 2-[3-(ethylamino)propylsulfonyl]ethanol?
The InChIKey is NQWILLUUVLZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-2-8-4-3-6-12(10,11)7-5-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-[3-(ethylamino)propylsulfonyl]ethanol?
2-[3-(ethylamino)propylsulfonyl]ethanol has a molecular weight of 195.28 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylsulfonyl]ethanol is sourced from PubChem (CID 19797796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).