N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide

C9H18N2O2S — CID 62588562

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
SMILESCCN(CCC(N)=S)C(=O)CCOC
InChIInChI=1S/C9H18N2O2S/c1-3-11(6-4-8(10)14)9(12)5-7-13-2/h3-7H2,1-2H3,(H2,10,14)
InChIKeyBUZWLVGUSPKEJI-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.55
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide (PubChem CID 62588562) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
PubChem CID62588562
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
SMILESCCN(CCC(N)=S)C(=O)CCOC
InChIInChI=1S/C9H18N2O2S/c1-3-11(6-4-8(10)14)9(12)5-7-13-2/h3-7H2,1-2H3,(H2,10,14)
InChIKeyBUZWLVGUSPKEJI-UHFFFAOYSA-N
XLogP0.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 54988516
N-(3-amino-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63285324

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide (CID 62588562) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide is CCN(CCC(N)=S)C(=O)CCOC.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide?
The InChIKey is BUZWLVGUSPKEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-11(6-4-8(10)14)9(12)5-7-13-2/h3-7H2,1-2H3,(H2,10,14).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide has a molecular weight of 218.32 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 62588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).