5-thiophen-2-ylsulfonylpentan-1-amine

C9H15NO2S2 — CID 64697389

IUPAC5-thiophen-2-ylsulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c10-6-2-1-3-8-14(11,12)9-5-4-7-13-9/h4-5,7H,1-3,6,8,10H2
InChIKeyPEGLZMYMZHHYCF-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.65
Rot. Bonds6

About 5-thiophen-2-ylsulfonylpentan-1-amine

5-thiophen-2-ylsulfonylpentan-1-amine (PubChem CID 64697389) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-thiophen-2-ylsulfonylpentan-1-amine.

Molecular Properties

Compound Name5-thiophen-2-ylsulfonylpentan-1-amine
PubChem CID64697389
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name5-thiophen-2-ylsulfonylpentan-1-amine
SMILESNCCCCCS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c10-6-2-1-3-8-14(11,12)9-5-4-7-13-9/h4-5,7H,1-3,6,8,10H2
InChIKeyPEGLZMYMZHHYCF-UHFFFAOYSA-N
XLogP1.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.65
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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Related Compounds

5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
2-thiophen-2-ylsulfonylethanesulfonyl chloride
CID 12513886
2-butylsulfonylthionine
CID 174380591
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
2-thiophen-2-ylsulfonylethyl 2-methylprop-2-enoate
CID 171762676
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
10-thiophen-2-yldecan-1-amine
CID 22115195
2-(nitromethylsulfonyl)thiophene
CID 54049836
tert-butyl 3-thiophen-2-ylsulfonylpropanoate
CID 116662446
3-amino-2-thiophen-2-ylsulfonylpropanoic acid
CID 64694450

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylsulfonylpentan-1-amine?
The IUPAC name of 5-thiophen-2-ylsulfonylpentan-1-amine (CID 64697389) is 5-thiophen-2-ylsulfonylpentan-1-amine.
What is the SMILES notation for 5-thiophen-2-ylsulfonylpentan-1-amine?
The canonical SMILES for 5-thiophen-2-ylsulfonylpentan-1-amine is NCCCCCS(=O)(=O)c1cccs1.
What is the InChIKey of 5-thiophen-2-ylsulfonylpentan-1-amine?
The InChIKey is PEGLZMYMZHHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c10-6-2-1-3-8-14(11,12)9-5-4-7-13-9/h4-5,7H,1-3,6,8,10H2.
What are the key properties of 5-thiophen-2-ylsulfonylpentan-1-amine?
5-thiophen-2-ylsulfonylpentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylsulfonylpentan-1-amine is sourced from PubChem (CID 64697389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).