N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide

C10H22N4OS — CID 104886403

IUPACN-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCSCC1C
InChIInChI=1S/C10H22N4OS/c1-8(6-15-3)12-10(13-11)14-4-5-16-7-9(14)2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyKMAAAWCHRUNPNZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.28
Rot. Bonds3

About N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide

N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide (PubChem CID 104886403) has the molecular formula C10H22N4OS and a molecular weight of 246.38 g/mol. Its IUPAC name is N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide
PubChem CID104886403
Molecular FormulaC10H22N4OS
Molecular Weight246.38 g/mol
Exact Mass246.15
IUPAC NameN-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide
SMILESCOCC(C)/N=C(\NN)N1CCSCC1C
InChIInChI=1S/C10H22N4OS/c1-8(6-15-3)12-10(13-11)14-4-5-16-7-9(14)2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyKMAAAWCHRUNPNZ-UHFFFAOYSA-N
XLogP0.28
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
2-amino-3-methoxy-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 81088355
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-(1-methoxypropan-2-yl)morpholine-4-carboximidamide
CID 104883236
N-amino-N'-(1-methoxypropan-2-yl)-2-methylmorpholine-4-carboximidamide
CID 104883311
N-amino-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
CID 104885840
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
CID 104886119
N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide (CID 104886403) is N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide is COCC(C)/N=C(\NN)N1CCSCC1C.
What is the InChIKey of N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide?
The InChIKey is KMAAAWCHRUNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4OS/c1-8(6-15-3)12-10(13-11)14-4-5-16-7-9(14)2/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide?
N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide has a molecular weight of 246.38 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(1-methoxypropan-2-yl)-3-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104886403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).