5-ethylsulfonylpentan-1-amine

C7H17NO2S — CID 54172156

IUPAC5-ethylsulfonylpentan-1-amine
SMILESCCS(=O)(=O)CCCCCN
InChIInChI=1S/C7H17NO2S/c1-2-11(9,10)7-5-3-4-6-8/h2-8H2,1H3
InChIKeyKGUCRTQFZWNHQA-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.55
Rot. Bonds6

About 5-ethylsulfonylpentan-1-amine

5-ethylsulfonylpentan-1-amine (PubChem CID 54172156) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 5-ethylsulfonylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonylpentan-1-amine
PubChem CID54172156
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name5-ethylsulfonylpentan-1-amine
SMILESCCS(=O)(=O)CCCCCN
InChIInChI=1S/C7H17NO2S/c1-2-11(9,10)7-5-3-4-6-8/h2-8H2,1H3
InChIKeyKGUCRTQFZWNHQA-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butylsulfonylpentan-1-amine
CID 64698649
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
9-methylsulfonylnonan-1-amine
CID 101417644
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
1-ethylsulfonylheptane
CID 19089519
3-butylsulfonylpropan-1-amine
CID 43615632
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
5-prop-2-enylsulfonylpentan-1-amine
CID 87785063

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylpentan-1-amine?
The IUPAC name of 5-ethylsulfonylpentan-1-amine (CID 54172156) is 5-ethylsulfonylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonylpentan-1-amine is CCS(=O)(=O)CCCCCN.
What is the InChIKey of 5-ethylsulfonylpentan-1-amine?
The InChIKey is KGUCRTQFZWNHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-2-11(9,10)7-5-3-4-6-8/h2-8H2,1H3.
What are the key properties of 5-ethylsulfonylpentan-1-amine?
5-ethylsulfonylpentan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonylpentan-1-amine is sourced from PubChem (CID 54172156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).