(2R)-2-sulfanyloctanamide

C8H17NOS — CID 141157978

IUPAC(2R)-2-sulfanyloctanamide
SMILESCCCCCC[C@@H](S)C(N)=O
InChIInChI=1S/C8H17NOS/c1-2-3-4-5-6-7(11)8(9)10/h7,11H,2-6H2,1H3,(H2,9,10)/t7-/m1/s1
InChIKeyQTPCNUVBHNEGAN-SSDOTTSWSA-N
MW175.30 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-sulfanyloctanamide

(2R)-2-sulfanyloctanamide (PubChem CID 141157978) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2R)-2-sulfanyloctanamide.

Molecular Properties

Compound Name(2R)-2-sulfanyloctanamide
PubChem CID141157978
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2R)-2-sulfanyloctanamide
SMILESCCCCCC[C@@H](S)C(N)=O
InChIInChI=1S/C8H17NOS/c1-2-3-4-5-6-7(11)8(9)10/h7,11H,2-6H2,1H3,(H2,9,10)/t7-/m1/s1
InChIKeyQTPCNUVBHNEGAN-SSDOTTSWSA-N
XLogP1.74
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylicosanoic acid
CID 18417186
methyl 2-sulfanylundecanoate
CID 90343263
octyl 2-sulfanyldecanoate;stannane
CID 173438957
2-hexyloctanamide
CID 87302701
2-sulfanylheptanoate
CID 22594709
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-hydroxyoctadecanamide
CID 14598043
2-carbamoylhexadecanoic acid
CID 172818471
2-aminododecanamide;hydrochloride
CID 14881390

Frequently Asked Questions

What is the IUPAC name of (2R)-2-sulfanyloctanamide?
The IUPAC name of (2R)-2-sulfanyloctanamide (CID 141157978) is (2R)-2-sulfanyloctanamide.
What is the SMILES notation for (2R)-2-sulfanyloctanamide?
The canonical SMILES for (2R)-2-sulfanyloctanamide is CCCCCC[C@@H](S)C(N)=O.
What is the InChIKey of (2R)-2-sulfanyloctanamide?
The InChIKey is QTPCNUVBHNEGAN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-3-4-5-6-7(11)8(9)10/h7,11H,2-6H2,1H3,(H2,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-sulfanyloctanamide?
(2R)-2-sulfanyloctanamide has a molecular weight of 175.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-sulfanyloctanamide is sourced from PubChem (CID 141157978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).