4-sulfanyl-2-(2-sulfanylethyl)pentanamide

C7H15NOS2 — CID 91107688

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

About 4-sulfanyl-2-(2-sulfanylethyl)pentanamide

4-sulfanyl-2-(2-sulfanylethyl)pentanamide (PubChem CID 91107688) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is 4-sulfanyl-2-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound Name4-sulfanyl-2-(2-sulfanylethyl)pentanamide
PubChem CID91107688
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name4-sulfanyl-2-(2-sulfanylethyl)pentanamide
SMILESCC(S)CC(CCS)C(N)=O
InChIInChI=1S/C7H15NOS2/c1-5(11)4-6(2-3-10)7(8)9/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyYFAHNKFPRLZKBW-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

2-propan-2-yl-4-sulfanylpentanamide
CID 126656807
4-sulfanyl-2-(sulfanylmethyl)hexanamide
CID 90740690
2-(2-hydroxypropyl)pentanediamide
CID 23104492
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
butane-1,3-dithiol
CID 520119
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
2-(2-sulfanylethyl)undec-10-enamide
CID 123962158
ethane;4-methyl-2-sulfanylpentanamide
CID 143641948
(2R)-2-(2-methylpropyl)-8-oxotricosanamide
CID 167580908
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922
2-methyl-3-sulfanylbutanamide
CID 87275807
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-2-(2-sulfanylethyl)pentanamide?
The IUPAC name of 4-sulfanyl-2-(2-sulfanylethyl)pentanamide (CID 91107688) is 4-sulfanyl-2-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for 4-sulfanyl-2-(2-sulfanylethyl)pentanamide?
The canonical SMILES for 4-sulfanyl-2-(2-sulfanylethyl)pentanamide is CC(S)CC(CCS)C(N)=O.
What is the InChIKey of 4-sulfanyl-2-(2-sulfanylethyl)pentanamide?
The InChIKey is YFAHNKFPRLZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-5(11)4-6(2-3-10)7(8)9/h5-6,10-11H,2-4H2,1H3,(H2,8,9).
What are the key properties of 4-sulfanyl-2-(2-sulfanylethyl)pentanamide?
4-sulfanyl-2-(2-sulfanylethyl)pentanamide 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-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 91107688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).