N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide

C12H24N2O3S — CID 82104126

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOCC(=O)N(CCCOC(C)C)CCC(N)=S
InChIInChI=1S/C12H24N2O3S/c1-10(2)17-8-4-6-14(7-5-11(13)18)12(15)9-16-3/h10H,4-9H2,1-3H3,(H2,13,18)
InChIKeyVIDOXROLRBIJLT-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.95
Rot. Bonds10

About N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 82104126) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID82104126
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOCC(=O)N(CCCOC(C)C)CCC(N)=S
InChIInChI=1S/C12H24N2O3S/c1-10(2)17-8-4-6-14(7-5-11(13)18)12(15)9-16-3/h10H,4-9H2,1-3H3,(H2,13,18)
InChIKeyVIDOXROLRBIJLT-UHFFFAOYSA-N
XLogP0.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 82104101
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 112602687
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82323149
2-methoxy-N,N-dipentylacetamide
CID 60776145
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide (CID 82104126) is N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide is COCC(=O)N(CCCOC(C)C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is VIDOXROLRBIJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)17-8-4-6-14(7-5-11(13)18)12(15)9-16-3/h10H,4-9H2,1-3H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.95, 10 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)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 82104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).