3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide

C9H18N2OS — CID 66217317

IUPAC3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
SMILESNCCCSCCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c10-5-1-6-13-7-4-9(12)11-8-2-3-8/h8H,1-7,10H2,(H,11,12)
InChIKeyQGQNDUNLWPNLJG-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds7

About 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide

3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide (PubChem CID 66217317) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
PubChem CID66217317
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
SMILESNCCCSCCC(=O)NC1CC1
InChIInChI=1S/C9H18N2OS/c10-5-1-6-13-7-4-9(12)11-8-2-3-8/h8H,1-7,10H2,(H,11,12)
InChIKeyQGQNDUNLWPNLJG-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
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 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide (CID 66217317) is 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide is NCCCSCCC(=O)NC1CC1.
What is the InChIKey of 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide?
The InChIKey is QGQNDUNLWPNLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-5-1-6-13-7-4-9(12)11-8-2-3-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide?
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 66217317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).