(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine

C11H19NO2S2 — CID 102978164

IUPAC(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
SMILESCCCS(=O)(=O)CCN[C@@H](C)c1cccs1
InChIInChI=1S/C11H19NO2S2/c1-3-8-16(13,14)9-6-12-10(2)11-5-4-7-15-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKNTJOLBLBMOMCT-JTQLQIEISA-N
MW261.41 g/mol
LogP2.22
Rot. Bonds7

About (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine

(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine (PubChem CID 102978164) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
PubChem CID102978164
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
SMILESCCCS(=O)(=O)CCN[C@@H](C)c1cccs1
InChIInChI=1S/C11H19NO2S2/c1-3-8-16(13,14)9-6-12-10(2)11-5-4-7-15-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyKNTJOLBLBMOMCT-JTQLQIEISA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
CID 107757631
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine (CID 102978164) is (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine is CCCS(=O)(=O)CCN[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine?
The InChIKey is KNTJOLBLBMOMCT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-3-8-16(13,14)9-6-12-10(2)11-5-4-7-15-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine?
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 102978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).