3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide

C11H22N2OS — CID 65175458

IUPAC3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
SMILESCCOCCCN(CCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2OS/c1-2-14-9-3-7-13(10-4-5-10)8-6-11(12)15/h10H,2-9H2,1H3,(H2,12,15)
InChIKeyGAQXEBMKDTVERU-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.55
Rot. Bonds9

About 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide

3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide (PubChem CID 65175458) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
PubChem CID65175458
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
SMILESCCOCCCN(CCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2OS/c1-2-14-9-3-7-13(10-4-5-10)8-6-11(12)15/h10H,2-9H2,1H3,(H2,12,15)
InChIKeyGAQXEBMKDTVERU-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butyl(cyclopropyl)amino]butanethioamide
CID 61441835
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 82104101
N-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide (CID 65175458) is 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide is CCOCCCN(CCC(N)=S)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide?
The InChIKey is GAQXEBMKDTVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-14-9-3-7-13(10-4-5-10)8-6-11(12)15/h10H,2-9H2,1H3,(H2,12,15).
What are the key properties of 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide?
3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide has a molecular weight of 230.38 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide is sourced from PubChem (CID 65175458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).