N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H22N2O2S — CID 112602684

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCN(CCC(N)=S)C(=O)COC(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-13(7-6-9(12)16)10(14)8-15-11(2,3)4/h5-8H2,1-4H3,(H2,12,16)
InChIKeyKHWIERPRCPKMTD-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.33
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602684) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602684
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCN(CCC(N)=S)C(=O)COC(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-13(7-6-9(12)16)10(14)8-15-11(2,3)4/h5-8H2,1-4H3,(H2,12,16)
InChIKeyKHWIERPRCPKMTD-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.33
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-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
methyl 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetate
CID 112603588
N-(3-amino-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
N-ethyl-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112604720
N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604773
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 54988516
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanoate
CID 112603597

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602684) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CCN(CCC(N)=S)C(=O)COC(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KHWIERPRCPKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-5-13(7-6-9(12)16)10(14)8-15-11(2,3)4/h5-8H2,1-4H3,(H2,12,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 246.38 g/mol, XLogP of 1.33, 6 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-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).