2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide

C12H23N3OS — CID 54997632

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCC(N)=S)C1CC1
InChIInChI=1S/C12H23N3OS/c1-3-14(4-2)12(16)9-15(10-5-6-10)8-7-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17)
InChIKeyBEUJLGYFCWQRLH-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.00
Rot. Bonds8

About 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide

2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide (PubChem CID 54997632) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
PubChem CID54997632
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(CCC(N)=S)C1CC1
InChIInChI=1S/C12H23N3OS/c1-3-14(4-2)12(16)9-15(10-5-6-10)8-7-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17)
InChIKeyBEUJLGYFCWQRLH-UHFFFAOYSA-N
XLogP1.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 60510071
N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 54995342
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556
3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
CID 65175458
2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
CID 54966442
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide (CID 54997632) is 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(CCC(N)=S)C1CC1.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide?
The InChIKey is BEUJLGYFCWQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-14(4-2)12(16)9-15(10-5-6-10)8-7-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide?
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide has a molecular weight of 257.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide is sourced from PubChem (CID 54997632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).