N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide

C8H16N2O2S — CID 61278987

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide
SMILESCCCC(NC(=O)COC)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-4-6(8(9)13)10-7(11)5-12-2/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyKQLRPCGNNVRTNR-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.20
Rot. Bonds6

About N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide (PubChem CID 61278987) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide
PubChem CID61278987
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide
SMILESCCCC(NC(=O)COC)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-4-6(8(9)13)10-7(11)5-12-2/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyKQLRPCGNNVRTNR-UHFFFAOYSA-N
XLogP0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide (CID 61278987) is N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide is CCCC(NC(=O)COC)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide?
The InChIKey is KQLRPCGNNVRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-4-6(8(9)13)10-7(11)5-12-2/h6H,3-5H2,1-2H3,(H2,9,13)(H,10,11).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide has a molecular weight of 204.29 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 61278987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).