4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide

C10H20N2OS — CID 57023736

IUPAC4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide
SMILESNC(=O)CCCSCCN1CCCC1
InChIInChI=1S/C10H20N2OS/c11-10(13)4-3-8-14-9-7-12-5-1-2-6-12/h1-9H2,(H2,11,13)
InChIKeyOGOZXAKVLRDMIT-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.08
Rot. Bonds7

About 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide

4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide (PubChem CID 57023736) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide
PubChem CID57023736
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide
SMILESNC(=O)CCCSCCN1CCCC1
InChIInChI=1S/C10H20N2OS/c11-10(13)4-3-8-14-9-7-12-5-1-2-6-12/h1-9H2,(H2,11,13)
InChIKeyOGOZXAKVLRDMIT-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide?
The IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide (CID 57023736) is 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide is NC(=O)CCCSCCN1CCCC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide?
The InChIKey is OGOZXAKVLRDMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-10(13)4-3-8-14-9-7-12-5-1-2-6-12/h1-9H2,(H2,11,13).
What are the key properties of 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide?
4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethylsulfanyl)butanamide is sourced from PubChem (CID 57023736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).