N-(3-methylsulfonylpropyl)thiophen-3-amine

C8H13NO2S2 — CID 66352138

IUPACN-(3-methylsulfonylpropyl)thiophen-3-amine
SMILESCS(=O)(=O)CCCNc1ccsc1
InChIInChI=1S/C8H13NO2S2/c1-13(10,11)6-2-4-9-8-3-5-12-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyIPKPLROLAOOTEZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.59
Rot. Bonds5

About N-(3-methylsulfonylpropyl)thiophen-3-amine

N-(3-methylsulfonylpropyl)thiophen-3-amine (PubChem CID 66352138) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)thiophen-3-amine
PubChem CID66352138
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC NameN-(3-methylsulfonylpropyl)thiophen-3-amine
SMILESCS(=O)(=O)CCCNc1ccsc1
InChIInChI=1S/C8H13NO2S2/c1-13(10,11)6-2-4-9-8-3-5-12-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyIPKPLROLAOOTEZ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)thiophen-3-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)thiophen-3-amine (CID 66352138) is N-(3-methylsulfonylpropyl)thiophen-3-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)thiophen-3-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)thiophen-3-amine is CS(=O)(=O)CCCNc1ccsc1.
What is the InChIKey of N-(3-methylsulfonylpropyl)thiophen-3-amine?
The InChIKey is IPKPLROLAOOTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-13(10,11)6-2-4-9-8-3-5-12-7-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)thiophen-3-amine?
N-(3-methylsulfonylpropyl)thiophen-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)thiophen-3-amine is sourced from PubChem (CID 66352138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).