N-amino-N'-propylthiomorpholine-4-carboximidamide

C8H18N4S — CID 104883433

IUPACN-amino-N'-propylthiomorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CCSCC1
InChIInChI=1S/C8H18N4S/c1-2-3-10-8(11-9)12-4-6-13-7-5-12/h2-7,9H2,1H3,(H,10,11)
InChIKeyQREGXELEWKDREA-UHFFFAOYSA-N
MW202.33 g/mol
LogP0.26
Rot. Bonds2

About N-amino-N'-propylthiomorpholine-4-carboximidamide

N-amino-N'-propylthiomorpholine-4-carboximidamide (PubChem CID 104883433) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is N-amino-N'-propylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propylthiomorpholine-4-carboximidamide
PubChem CID104883433
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC NameN-amino-N'-propylthiomorpholine-4-carboximidamide
SMILESCCC/N=C(\NN)N1CCSCC1
InChIInChI=1S/C8H18N4S/c1-2-3-10-8(11-9)12-4-6-13-7-5-12/h2-7,9H2,1H3,(H,10,11)
InChIKeyQREGXELEWKDREA-UHFFFAOYSA-N
XLogP0.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2-methylpropyl)-1,4-thiazepane-4-carboximidamide
CID 104885614
N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide
CID 104883370
N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 116512846
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-2-ethyl-N'-propylazepane-1-carboximidamide
CID 104888675
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 116512996

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-propylthiomorpholine-4-carboximidamide (CID 104883433) is N-amino-N'-propylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-propylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-propylthiomorpholine-4-carboximidamide is CCC/N=C(\NN)N1CCSCC1.
What is the InChIKey of N-amino-N'-propylthiomorpholine-4-carboximidamide?
The InChIKey is QREGXELEWKDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-2-3-10-8(11-9)12-4-6-13-7-5-12/h2-7,9H2,1H3,(H,10,11).
What are the key properties of N-amino-N'-propylthiomorpholine-4-carboximidamide?
N-amino-N'-propylthiomorpholine-4-carboximidamide has a molecular weight of 202.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104883433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).