5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride

C10H24ClNO3S — CID 170915824

IUPAC5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
SMILESCl.NCCCCCS(=O)(=O)CCCCCO
InChIInChI=1S/C10H23NO3S.ClH/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12;/h12H,1-11H2;1H
InChIKeyDEKMIEODXXQOJV-UHFFFAOYSA-N
MW273.83 g/mol
LogP1.11
Rot. Bonds10

About 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride

5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride (PubChem CID 170915824) has the molecular formula C10H24ClNO3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
PubChem CID170915824
Molecular FormulaC10H24ClNO3S
Molecular Weight273.83 g/mol
Exact Mass273.12
IUPAC Name5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
SMILESCl.NCCCCCS(=O)(=O)CCCCCO
InChIInChI=1S/C10H23NO3S.ClH/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12;/h12H,1-11H2;1H
InChIKeyDEKMIEODXXQOJV-UHFFFAOYSA-N
XLogP1.11
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
6-aminohexan-1-ol;hydrochloride
CID 21259387
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
36-aminohexatriacontan-1-ol
CID 87686190
5-ethylsulfonylpentan-1-ol
CID 62353355
5-ethylsulfonylpentan-1-amine
CID 54172156
5-butylsulfonylpentan-1-amine
CID 64698649
4-butylsulfonylbutan-1-ol
CID 12943305
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride?
The IUPAC name of 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride (CID 170915824) is 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride?
The canonical SMILES for 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride is Cl.NCCCCCS(=O)(=O)CCCCCO.
What is the InChIKey of 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride?
The InChIKey is DEKMIEODXXQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S.ClH/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12;/h12H,1-11H2;1H.
What are the key properties of 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride?
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride is sourced from PubChem (CID 170915824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).