N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide

C10H20N2O2S — CID 82103541

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
SMILESCCC(=O)N(CCCOC)CCC(N)=S
InChIInChI=1S/C10H20N2O2S/c1-3-10(13)12(6-4-8-14-2)7-5-9(11)15/h3-8H2,1-2H3,(H2,11,15)
InChIKeySMHGUFLCFFAFON-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.94
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide (PubChem CID 82103541) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
PubChem CID82103541
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
SMILESCCC(=O)N(CCCOC)CCC(N)=S
InChIInChI=1S/C10H20N2O2S/c1-3-10(13)12(6-4-8-14-2)7-5-9(11)15/h3-8H2,1-2H3,(H2,11,15)
InChIKeySMHGUFLCFFAFON-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.94
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

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 82104126
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 82104101
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
CID 113117131
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)butanamide
CID 82104258
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
CID 83137721
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide (CID 82103541) is N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide is CCC(=O)N(CCCOC)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is SMHGUFLCFFAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-10(13)12(6-4-8-14-2)7-5-9(11)15/h3-8H2,1-2H3,(H2,11,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.94, 8 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 82103541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).