3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol

C10H23NO3S — CID 103714098

IUPAC3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
SMILESCCCS(=O)(=O)CCN(CC)CCCO
InChIInChI=1S/C10H23NO3S/c1-3-9-15(13,14)10-7-11(4-2)6-5-8-12/h12H,3-10H2,1-2H3
InChIKeyWWZWQVFQDLHAIE-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.52
Rot. Bonds9

About 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol

3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol (PubChem CID 103714098) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
PubChem CID103714098
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
SMILESCCCS(=O)(=O)CCN(CC)CCCO
InChIInChI=1S/C10H23NO3S/c1-3-9-15(13,14)10-7-11(4-2)6-5-8-12/h12H,3-10H2,1-2H3
InChIKeyWWZWQVFQDLHAIE-UHFFFAOYSA-N
XLogP0.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
1-propylsulfonylpropane
CID 11709
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
N-[3-(diethylamino)propyl]-N-ethyl-4-hydroxybutane-1-sulfonamide
CID 102998518
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
CID 60710620
4-butylsulfonylbutan-1-ol
CID 12943305
2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
CID 114263820
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol (CID 103714098) is 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol is CCCS(=O)(=O)CCN(CC)CCCO.
What is the InChIKey of 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol?
The InChIKey is WWZWQVFQDLHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-9-15(13,14)10-7-11(4-2)6-5-8-12/h12H,3-10H2,1-2H3.
What are the key properties of 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol?
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol has a molecular weight of 237.36 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol is sourced from PubChem (CID 103714098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).