N-amino-N'-propylthiane-2-carboximidamide

C9H19N3S — CID 80596125

IUPACN-amino-N'-propylthiane-2-carboximidamide
SMILESCCC/N=C(\NN)C1CCCCS1
InChIInChI=1S/C9H19N3S/c1-2-6-11-9(12-10)8-5-3-4-7-13-8/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyFTWQRNFMQOAHIS-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.54
Rot. Bonds3

About N-amino-N'-propylthiane-2-carboximidamide

N-amino-N'-propylthiane-2-carboximidamide (PubChem CID 80596125) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is N-amino-N'-propylthiane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propylthiane-2-carboximidamide
PubChem CID80596125
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC NameN-amino-N'-propylthiane-2-carboximidamide
SMILESCCC/N=C(\NN)C1CCCCS1
InChIInChI=1S/C9H19N3S/c1-2-6-11-9(12-10)8-5-3-4-7-13-8/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyFTWQRNFMQOAHIS-UHFFFAOYSA-N
XLogP1.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.54
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'-propylthiane-2-carboximidamide?
The IUPAC name of N-amino-N'-propylthiane-2-carboximidamide (CID 80596125) is N-amino-N'-propylthiane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-propylthiane-2-carboximidamide?
The canonical SMILES for N-amino-N'-propylthiane-2-carboximidamide is CCC/N=C(\NN)C1CCCCS1.
What is the InChIKey of N-amino-N'-propylthiane-2-carboximidamide?
The InChIKey is FTWQRNFMQOAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-2-6-11-9(12-10)8-5-3-4-7-13-8/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-propylthiane-2-carboximidamide?
N-amino-N'-propylthiane-2-carboximidamide has a molecular weight of 201.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propylthiane-2-carboximidamide is sourced from PubChem (CID 80596125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).