4-sulfanyl-2-(sulfanylmethyl)hexanamide

C7H15NOS2 — CID 90740690

IUPAC4-sulfanyl-2-(sulfanylmethyl)hexanamide
SMILESCCC(S)CC(CS)C(N)=O
InChIInChI=1S/C7H15NOS2/c1-2-6(11)3-5(4-10)7(8)9/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyQKDYUUWCSINLDQ-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.12
Rot. Bonds5

About 4-sulfanyl-2-(sulfanylmethyl)hexanamide

4-sulfanyl-2-(sulfanylmethyl)hexanamide (PubChem CID 90740690) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is 4-sulfanyl-2-(sulfanylmethyl)hexanamide.

Molecular Properties

Compound Name4-sulfanyl-2-(sulfanylmethyl)hexanamide
PubChem CID90740690
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name4-sulfanyl-2-(sulfanylmethyl)hexanamide
SMILESCCC(S)CC(CS)C(N)=O
InChIInChI=1S/C7H15NOS2/c1-2-6(11)3-5(4-10)7(8)9/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyQKDYUUWCSINLDQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-diethylhexanamide
CID 95562524
4-sulfanyl-2-(2-sulfanylethyl)pentanamide
CID 91107688
2-(2-sulfanylbutyl)dodecanoic acid
CID 88735853
(2-hydroxy-3-sulfanylpropyl) 4-carbamoyl-2-methylhexanoate
CID 88551575
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
2-(aminomethyl)-4-ethylhexanamide
CID 62313240
(2S,5R)-5-amino-4-oxo-6-sulfanyl-2-(sulfanylmethyl)hexanamide
CID 158260312
4-carbamoyl-2-methylhexanoic acid
CID 20783257
2-hydroxybutanamide;hydrochloride
CID 87384831
2-ethylpentanamide;hydrochloride
CID 121334657

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-2-(sulfanylmethyl)hexanamide?
The IUPAC name of 4-sulfanyl-2-(sulfanylmethyl)hexanamide (CID 90740690) is 4-sulfanyl-2-(sulfanylmethyl)hexanamide.
What is the SMILES notation for 4-sulfanyl-2-(sulfanylmethyl)hexanamide?
The canonical SMILES for 4-sulfanyl-2-(sulfanylmethyl)hexanamide is CCC(S)CC(CS)C(N)=O.
What is the InChIKey of 4-sulfanyl-2-(sulfanylmethyl)hexanamide?
The InChIKey is QKDYUUWCSINLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-2-6(11)3-5(4-10)7(8)9/h5-6,10-11H,2-4H2,1H3,(H2,8,9).
What are the key properties of 4-sulfanyl-2-(sulfanylmethyl)hexanamide?
4-sulfanyl-2-(sulfanylmethyl)hexanamide has a molecular weight of 193.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-2-(sulfanylmethyl)hexanamide is sourced from PubChem (CID 90740690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).