2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine

C10H17NO2S2 — CID 82360015

IUPAC2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCS(=O)(=O)C(C)C(N)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-3-7-15(12,13)8(2)10(11)9-5-4-6-14-9/h4-6,8,10H,3,7,11H2,1-2H3
InChIKeyYJOVYOKKZDKICS-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.96
Rot. Bonds5

About 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine

2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 82360015) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine
PubChem CID82360015
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCS(=O)(=O)C(C)C(N)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-3-7-15(12,13)8(2)10(11)9-5-4-6-14-9/h4-6,8,10H,3,7,11H2,1-2H3
InChIKeyYJOVYOKKZDKICS-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43771737
2-propan-2-ylthiophene
CID 178128598
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
CID 104521074
2-thiophen-2-ylpropane-1-sulfonyl chloride
CID 83642993

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine (CID 82360015) is 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine is CCCS(=O)(=O)C(C)C(N)c1cccs1.
What is the InChIKey of 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is YJOVYOKKZDKICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-3-7-15(12,13)8(2)10(11)9-5-4-6-14-9/h4-6,8,10H,3,7,11H2,1-2H3.
What are the key properties of 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine?
2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 82360015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).