N-(6-hydroxyhexyl)thiolane-2-carboxamide

C11H21NO2S — CID 103919325

IUPACN-(6-hydroxyhexyl)thiolane-2-carboxamide
SMILESO=C(NCCCCCCO)C1CCCS1
InChIInChI=1S/C11H21NO2S/c13-8-4-2-1-3-7-12-11(14)10-6-5-9-15-10/h10,13H,1-9H2,(H,12,14)
InChIKeyXQFDTQKNRJZZOJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.55
Rot. Bonds7

About N-(6-hydroxyhexyl)thiolane-2-carboxamide

N-(6-hydroxyhexyl)thiolane-2-carboxamide (PubChem CID 103919325) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)thiolane-2-carboxamide
PubChem CID103919325
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(6-hydroxyhexyl)thiolane-2-carboxamide
SMILESO=C(NCCCCCCO)C1CCCS1
InChIInChI=1S/C11H21NO2S/c13-8-4-2-1-3-7-12-11(14)10-6-5-9-15-10/h10,13H,1-9H2,(H,12,14)
InChIKeyXQFDTQKNRJZZOJ-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-7-(trifluoromethylsulfanyl)heptanamide
CID 88887775
5-(4-Oxo-1,3-thiazolidin-2-yl)pentanoic acid
CID 253367
N-[3-(2-hydroxyethylsulfanyl)propyl]pentanamide
CID 15123543
6-hydroxy N-(2-mercaptoethyl) caproamide
CID 17882709
6-hydroxy-N-(3-sulfanylpropyl)hexanamide
CID 17882710
(3R,5R)-N-(5-hydroxypentyl)-5-(sulfanylmethyl)thiolane-3-carboxamide
CID 53905585
5-(3-aminothiolan-2-yl)-N-(4-hydroxybutyl)pentanamide
CID 68659383
N-[(2R)-6-amino-2-tert-butylsulfanyl-1-hydroxyhexyl]acetamide
CID 88436579
N-[(2S)-6-amino-2-tert-butylsulfanyl-1-hydroxyhexyl]acetamide
CID 88436832
5-(dithiolan-3-yl)-N-(6-hydroxyhexyl)pentanamide
CID 89399473
6-hydroxy-N-(2-sulfanylpropyl)hexanamide
CID 117682753
CID 123983326
CID 123983326

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)thiolane-2-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)thiolane-2-carboxamide (CID 103919325) is N-(6-hydroxyhexyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)thiolane-2-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)thiolane-2-carboxamide is O=C(NCCCCCCO)C1CCCS1.
What is the InChIKey of N-(6-hydroxyhexyl)thiolane-2-carboxamide?
The InChIKey is XQFDTQKNRJZZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-8-4-2-1-3-7-12-11(14)10-6-5-9-15-10/h10,13H,1-9H2,(H,12,14).
What are the key properties of N-(6-hydroxyhexyl)thiolane-2-carboxamide?
N-(6-hydroxyhexyl)thiolane-2-carboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)thiolane-2-carboxamide is sourced from PubChem (CID 103919325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).