N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide

C8H16N4S — CID 104883439

IUPACN-amino-N'-cyclopropylthiomorpholine-4-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCSCC1
InChIInChI=1S/C8H16N4S/c9-11-8(10-7-1-2-7)12-3-5-13-6-4-12/h7H,1-6,9H2,(H,10,11)
InChIKeyDNTULQNJJWCALC-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.02
Rot. Bonds1

About N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide

N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide (PubChem CID 104883439) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropylthiomorpholine-4-carboximidamide
PubChem CID104883439
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN-amino-N'-cyclopropylthiomorpholine-4-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCSCC1
InChIInChI=1S/C8H16N4S/c9-11-8(10-7-1-2-7)12-3-5-13-6-4-12/h7H,1-6,9H2,(H,10,11)
InChIKeyDNTULQNJJWCALC-UHFFFAOYSA-N
XLogP0.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.02
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide (CID 104883439) is N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide is NN/C(=N\C1CC1)N1CCSCC1.
What is the InChIKey of N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide?
The InChIKey is DNTULQNJJWCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c9-11-8(10-7-1-2-7)12-3-5-13-6-4-12/h7H,1-6,9H2,(H,10,11).
What are the key properties of N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide?
N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide has a molecular weight of 200.31 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 104883439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).