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

C8H17N3S — CID 62359913

IUPACN'-propan-2-ylthiomorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CCSCC1
InChIInChI=1S/C8H17N3S/c1-7(2)10-8(9)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLBKPZDZOFSIILH-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.76
Rot. Bonds1

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

N'-propan-2-ylthiomorpholine-4-carboximidamide (PubChem CID 62359913) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is N'-propan-2-ylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-ylthiomorpholine-4-carboximidamide
PubChem CID62359913
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC NameN'-propan-2-ylthiomorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CCSCC1
InChIInChI=1S/C8H17N3S/c1-7(2)10-8(9)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLBKPZDZOFSIILH-UHFFFAOYSA-N
XLogP0.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-propan-2-ylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-propan-2-ylthiomorpholine-4-carboximidamide (CID 62359913) is N'-propan-2-ylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-propan-2-ylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-propan-2-ylthiomorpholine-4-carboximidamide is CC(C)/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-propan-2-ylthiomorpholine-4-carboximidamide?
The InChIKey is LBKPZDZOFSIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-7(2)10-8(9)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-propan-2-ylthiomorpholine-4-carboximidamide?
N'-propan-2-ylthiomorpholine-4-carboximidamide has a molecular weight of 187.31 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 62359913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).