4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide

C10H20N2O2S2 — CID 11817935

IUPAC4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
SMILESO=C(CCCS)NCCNC(=O)CCCS
InChIInChI=1S/C10H20N2O2S2/c13-9(3-1-7-15)11-5-6-12-10(14)4-2-8-16/h15-16H,1-8H2,(H,11,13)(H,12,14)
InChIKeyDWGRRXLRSASCCJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.64
Rot. Bonds9

About 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide

4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide (PubChem CID 11817935) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
PubChem CID11817935
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
SMILESO=C(CCCS)NCCNC(=O)CCCS
InChIInChI=1S/C10H20N2O2S2/c13-9(3-1-7-15)11-5-6-12-10(14)4-2-8-16/h15-16H,1-8H2,(H,11,13)(H,12,14)
InChIKeyDWGRRXLRSASCCJ-UHFFFAOYSA-N
XLogP0.64
TPSA58.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-pentyl-4-sulfanylbutanamide
CID 88984184
N-dodecyl-4-sulfanylbutanamide
CID 139637392
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
5-sulfanyl-N-(sulfanylmethyl)pentanamide
CID 86074626
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N-pentyl-11-sulfanylundecanamide
CID 102272005
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
CID 23568508

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide?
The IUPAC name of 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide (CID 11817935) is 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide.
What is the SMILES notation for 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide?
The canonical SMILES for 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide is O=C(CCCS)NCCNC(=O)CCCS.
What is the InChIKey of 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide?
The InChIKey is DWGRRXLRSASCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c13-9(3-1-7-15)11-5-6-12-10(14)4-2-8-16/h15-16H,1-8H2,(H,11,13)(H,12,14).
What are the key properties of 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide?
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide has a molecular weight of 264.42 g/mol, XLogP of 0.64, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide is sourced from PubChem (CID 11817935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).