2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide

C11H22N2O3S — CID 114232524

IUPAC2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)CCNC(C)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-3-12-11(14)8-17(15,16)7-6-13-9(2)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyTXFYVQRTLIIOJL-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.07
Rot. Bonds8

About 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide

2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide (PubChem CID 114232524) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
PubChem CID114232524
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)CCNC(C)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-3-12-11(14)8-17(15,16)7-6-13-9(2)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyTXFYVQRTLIIOJL-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide
CID 114232575
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
N-propyl-2-propylsulfonylacetamide
CID 86989509
2-(dicyclopropylmethylamino)-N-ethylacetamide
CID 43403058
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide?
The IUPAC name of 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide (CID 114232524) is 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide is CCNC(=O)CS(=O)(=O)CCNC(C)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide?
The InChIKey is TXFYVQRTLIIOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-12-11(14)8-17(15,16)7-6-13-9(2)10-4-5-10/h9-10,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide?
2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide has a molecular weight of 262.37 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide is sourced from PubChem (CID 114232524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).