2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide

C8H15N3OS — CID 123229363

IUPAC2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide
SMILESCC/C(N)=N\C(=S)C(=O)NC(C)C
InChIInChI=1S/C8H15N3OS/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13)
InChIKeySRWJPGYUQCNRKF-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.61
Rot. Bonds2

About 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide

2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide (PubChem CID 123229363) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide
PubChem CID123229363
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide
SMILESCC/C(N)=N\C(=S)C(=O)NC(C)C
InChIInChI=1S/C8H15N3OS/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13)
InChIKeySRWJPGYUQCNRKF-UHFFFAOYSA-N
XLogP0.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide?
The IUPAC name of 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide (CID 123229363) is 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide?
The canonical SMILES for 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide is CC/C(N)=N\C(=S)C(=O)NC(C)C.
What is the InChIKey of 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide?
The InChIKey is SRWJPGYUQCNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13).
What are the key properties of 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide?
2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide has a molecular weight of 201.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 123229363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).