4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide

C10H21N3S — CID 106446013

IUPAC4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide
SMILESCC(C)C/N=C(\N)C1CSCCN1C
InChIInChI=1S/C10H21N3S/c1-8(2)6-12-10(11)9-7-14-5-4-13(9)3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyHKJJKFSREXDIHG-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.05
Rot. Bonds3

About 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide

4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide (PubChem CID 106446013) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide
PubChem CID106446013
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide
SMILESCC(C)C/N=C(\N)C1CSCCN1C
InChIInChI=1S/C10H21N3S/c1-8(2)6-12-10(11)9-7-14-5-4-13(9)3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyHKJJKFSREXDIHG-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.05
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'-(2-methylpropyl)thiomorpholine-3-carboximidamide?
The IUPAC name of 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide (CID 106446013) is 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide?
The canonical SMILES for 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide is CC(C)C/N=C(\N)C1CSCCN1C.
What is the InChIKey of 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide?
The InChIKey is HKJJKFSREXDIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-8(2)6-12-10(11)9-7-14-5-4-13(9)3/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide?
4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide has a molecular weight of 215.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-methylpropyl)thiomorpholine-3-carboximidamide is sourced from PubChem (CID 106446013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).