[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate

C10H17NO4S — CID 163432769

IUPAC[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
SMILESCCNC(COS(C)(=O)=O)Cc1ccco1
InChIInChI=1S/C10H17NO4S/c1-3-11-9(8-15-16(2,12)13)7-10-5-4-6-14-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyARXSLLIVWVTURN-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.78
Rot. Bonds7

About [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate

[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate (PubChem CID 163432769) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate.

Molecular Properties

Compound Name[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
PubChem CID163432769
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
SMILESCCNC(COS(C)(=O)=O)Cc1ccco1
InChIInChI=1S/C10H17NO4S/c1-3-11-9(8-15-16(2,12)13)7-10-5-4-6-14-10/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyARXSLLIVWVTURN-UHFFFAOYSA-N
XLogP0.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295
N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475733
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-ethyl-1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-amine
CID 83182860
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
[1-ethoxy-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105235330
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate?
The IUPAC name of [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate (CID 163432769) is [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate.
What is the SMILES notation for [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate?
The canonical SMILES for [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate is CCNC(COS(C)(=O)=O)Cc1ccco1.
What is the InChIKey of [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate?
The InChIKey is ARXSLLIVWVTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-11-9(8-15-16(2,12)13)7-10-5-4-6-14-10/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate?
[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate has a molecular weight of 247.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate is sourced from PubChem (CID 163432769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).