1-[carbamoyl(sulfino)amino]-1-ethoxypropane

C6H14N2O4S — CID 174443786

IUPAC1-[carbamoyl(sulfino)amino]-1-ethoxypropane
SMILESCCOC(CC)N(C(N)=O)S(=O)O
InChIInChI=1S/C6H14N2O4S/c1-3-5(12-4-2)8(6(7)9)13(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11)
InChIKeyVVTUJSVTSLYWBV-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.28
Rot. Bonds5

About 1-[carbamoyl(sulfino)amino]-1-ethoxypropane

1-[carbamoyl(sulfino)amino]-1-ethoxypropane (PubChem CID 174443786) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[carbamoyl(sulfino)amino]-1-ethoxypropane.

Molecular Properties

Compound Name1-[carbamoyl(sulfino)amino]-1-ethoxypropane
PubChem CID174443786
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name1-[carbamoyl(sulfino)amino]-1-ethoxypropane
SMILESCCOC(CC)N(C(N)=O)S(=O)O
InChIInChI=1S/C6H14N2O4S/c1-3-5(12-4-2)8(6(7)9)13(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11)
InChIKeyVVTUJSVTSLYWBV-UHFFFAOYSA-N
XLogP0.28
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[carbamoyl(sulfino)amino]-1-ethoxypropane?
The IUPAC name of 1-[carbamoyl(sulfino)amino]-1-ethoxypropane (CID 174443786) is 1-[carbamoyl(sulfino)amino]-1-ethoxypropane.
What is the SMILES notation for 1-[carbamoyl(sulfino)amino]-1-ethoxypropane?
The canonical SMILES for 1-[carbamoyl(sulfino)amino]-1-ethoxypropane is CCOC(CC)N(C(N)=O)S(=O)O.
What is the InChIKey of 1-[carbamoyl(sulfino)amino]-1-ethoxypropane?
The InChIKey is VVTUJSVTSLYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-3-5(12-4-2)8(6(7)9)13(10)11/h5H,3-4H2,1-2H3,(H2,7,9)(H,10,11).
What are the key properties of 1-[carbamoyl(sulfino)amino]-1-ethoxypropane?
1-[carbamoyl(sulfino)amino]-1-ethoxypropane has a molecular weight of 210.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamoyl(sulfino)amino]-1-ethoxypropane is sourced from PubChem (CID 174443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).