N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide

C8H16N2O2S — CID 103020296

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-5(6(9)13)10-7(11)8(2,3)12-4/h5H,1-4H3,(H2,9,13)(H,10,11)
InChIKeySNRLSKCLOAMBNF-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.20
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103020296) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide
PubChem CID103020296
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-5(6(9)13)10-7(11)8(2,3)12-4/h5H,1-4H3,(H2,9,13)(H,10,11)
InChIKeySNRLSKCLOAMBNF-UHFFFAOYSA-N
XLogP0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide (CID 103020296) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is SNRLSKCLOAMBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-5(6(9)13)10-7(11)8(2,3)12-4/h5H,1-4H3,(H2,9,13)(H,10,11).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 204.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).