2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide

C10H20N2OS — CID 66219814

IUPAC2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSCCCN)C1CC1
InChIInChI=1S/C10H20N2OS/c1-2-12(9-4-5-9)10(13)8-14-7-3-6-11/h9H,2-8,11H2,1H3
InChIKeyCFFWOBUBUCVTJQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.08
Rot. Bonds7

About 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide

2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 66219814) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
PubChem CID66219814
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSCCCN)C1CC1
InChIInChI=1S/C10H20N2OS/c1-2-12(9-4-5-9)10(13)8-14-7-3-6-11/h9H,2-8,11H2,1H3
InChIKeyCFFWOBUBUCVTJQ-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 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide (CID 66219814) is 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CSCCCN)C1CC1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is CFFWOBUBUCVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-12(9-4-5-9)10(13)8-14-7-3-6-11/h9H,2-8,11H2,1H3.
What are the key properties of 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide?
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide 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 2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 66219814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).