4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide

C9H19N3S — CID 106446010

IUPAC4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide
SMILESCC(C)/N=C(\N)C1CSCCN1C
InChIInChI=1S/C9H19N3S/c1-7(2)11-9(10)8-6-13-5-4-12(8)3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeySJTAOGHGRQTXLD-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.80
Rot. Bonds2

About 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide

4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide (PubChem CID 106446010) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide
PubChem CID106446010
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide
SMILESCC(C)/N=C(\N)C1CSCCN1C
InChIInChI=1S/C9H19N3S/c1-7(2)11-9(10)8-6-13-5-4-12(8)3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeySJTAOGHGRQTXLD-UHFFFAOYSA-N
XLogP0.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide?
The IUPAC name of 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide (CID 106446010) is 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide.
What is the SMILES notation for 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide?
The canonical SMILES for 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide is CC(C)/N=C(\N)C1CSCCN1C.
What is the InChIKey of 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide?
The InChIKey is SJTAOGHGRQTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(2)11-9(10)8-6-13-5-4-12(8)3/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide?
4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide has a molecular weight of 201.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-propan-2-ylthiomorpholine-3-carboximidamide is sourced from PubChem (CID 106446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).