N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine

C9H15NO2S2 — CID 106723950

IUPACN-(2-propan-2-ylsulfonylethyl)thiophen-3-amine
SMILESCC(C)S(=O)(=O)CCNc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-8(2)14(11,12)6-4-10-9-3-5-13-7-9/h3,5,7-8,10H,4,6H2,1-2H3
InChIKeyGUXPMZVEYOGFRX-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.98
Rot. Bonds5

About N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine

N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine (PubChem CID 106723950) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)thiophen-3-amine
PubChem CID106723950
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC NameN-(2-propan-2-ylsulfonylethyl)thiophen-3-amine
SMILESCC(C)S(=O)(=O)CCNc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-8(2)14(11,12)6-4-10-9-3-5-13-7-9/h3,5,7-8,10H,4,6H2,1-2H3
InChIKeyGUXPMZVEYOGFRX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine (CID 106723950) is N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine is CC(C)S(=O)(=O)CCNc1ccsc1.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine?
The InChIKey is GUXPMZVEYOGFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-8(2)14(11,12)6-4-10-9-3-5-13-7-9/h3,5,7-8,10H,4,6H2,1-2H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine?
N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)thiophen-3-amine is sourced from PubChem (CID 106723950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).