N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide

C13H24N2O2S2 — CID 83137721

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
SMILESCOCCN(CCC(N)=S)C(=O)CC1CCSCC1
InChIInChI=1S/C13H24N2O2S2/c1-17-7-6-15(5-2-12(14)18)13(16)10-11-3-8-19-9-4-11/h11H,2-10H2,1H3,(H2,14,18)
InChIKeyHGHNHRYRYWNSGL-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.67
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide (PubChem CID 83137721) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
PubChem CID83137721
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
SMILESCOCCN(CCC(N)=S)C(=O)CC1CCSCC1
InChIInChI=1S/C13H24N2O2S2/c1-17-7-6-15(5-2-12(14)18)13(16)10-11-3-8-19-9-4-11/h11H,2-10H2,1H3,(H2,14,18)
InChIKeyHGHNHRYRYWNSGL-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(2-aminoethyl)-2-cycloheptyl-N-(2-methoxyethyl)acetamide
CID 114459191
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 79155269
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63287161
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(thian-4-yl)acetamide
CID 83136985
N-(3-amino-3-sulfanylidenepropyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 55172473
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 107961794

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide (CID 83137721) is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide is COCCN(CCC(N)=S)C(=O)CC1CCSCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
The InChIKey is HGHNHRYRYWNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-17-7-6-15(5-2-12(14)18)13(16)10-11-3-8-19-9-4-11/h11H,2-10H2,1H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide has a molecular weight of 304.48 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83137721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).