2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide

C11H20N2O2S2 — CID 114140725

IUPAC2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C11H20N2O2S2/c1-2-5-12-7-9-17(14,15)13-6-3-11-4-8-16-10-11/h4,8,10,12-13H,2-3,5-7,9H2,1H3
InChIKeyYZTSWYHMPHEOHI-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.21
Rot. Bonds9

About 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide

2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide (PubChem CID 114140725) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
PubChem CID114140725
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C11H20N2O2S2/c1-2-5-12-7-9-17(14,15)13-6-3-11-4-8-16-10-11/h4,8,10,12-13H,2-3,5-7,9H2,1H3
InChIKeyYZTSWYHMPHEOHI-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.21
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-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 79589134
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
CID 61474553
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833
4-(2-thiophen-3-ylethylsulfamoylmethyl)benzenecarbothioamide
CID 61477660
N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
CID 106512644

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide (CID 114140725) is 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide is CCCNCCS(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The InChIKey is YZTSWYHMPHEOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-2-5-12-7-9-17(14,15)13-6-3-11-4-8-16-10-11/h4,8,10,12-13H,2-3,5-7,9H2,1H3.
What are the key properties of 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 114140725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).