N-diaminophosphoryl-2-thiophen-3-ylacetamide

C6H10N3O2PS — CID 18938089

IUPACN-diaminophosphoryl-2-thiophen-3-ylacetamide
SMILESNP(N)(=O)NC(=O)Cc1ccsc1
InChIInChI=1S/C6H10N3O2PS/c7-12(8,11)9-6(10)3-5-1-2-13-4-5/h1-2,4H,3H2,(H5,7,8,9,10,11)
InChIKeyCTDCDEBJCOSBTQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP0.43
Rot. Bonds3

About N-diaminophosphoryl-2-thiophen-3-ylacetamide

N-diaminophosphoryl-2-thiophen-3-ylacetamide (PubChem CID 18938089) has the molecular formula C6H10N3O2PS and a molecular weight of 219.21 g/mol. Its IUPAC name is N-diaminophosphoryl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-diaminophosphoryl-2-thiophen-3-ylacetamide
PubChem CID18938089
Molecular FormulaC6H10N3O2PS
Molecular Weight219.21 g/mol
Exact Mass219.02
IUPAC NameN-diaminophosphoryl-2-thiophen-3-ylacetamide
SMILESNP(N)(=O)NC(=O)Cc1ccsc1
InChIInChI=1S/C6H10N3O2PS/c7-12(8,11)9-6(10)3-5-1-2-13-4-5/h1-2,4H,3H2,(H5,7,8,9,10,11)
InChIKeyCTDCDEBJCOSBTQ-UHFFFAOYSA-N
XLogP0.43
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-2-thiophen-3-ylacetamide?
The IUPAC name of N-diaminophosphoryl-2-thiophen-3-ylacetamide (CID 18938089) is N-diaminophosphoryl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-diaminophosphoryl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-diaminophosphoryl-2-thiophen-3-ylacetamide is NP(N)(=O)NC(=O)Cc1ccsc1.
What is the InChIKey of N-diaminophosphoryl-2-thiophen-3-ylacetamide?
The InChIKey is CTDCDEBJCOSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O2PS/c7-12(8,11)9-6(10)3-5-1-2-13-4-5/h1-2,4H,3H2,(H5,7,8,9,10,11).
What are the key properties of N-diaminophosphoryl-2-thiophen-3-ylacetamide?
N-diaminophosphoryl-2-thiophen-3-ylacetamide has a molecular weight of 219.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 18938089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).