N-[amino(cyclopropyl)amino]methanethioamide

C4H9N3S — CID 174857038

IUPACN-[amino(cyclopropyl)amino]methanethioamide
SMILESNN(NC=S)C1CC1
InChIInChI=1S/C4H9N3S/c5-7(6-3-8)4-1-2-4/h3-4H,1-2,5H2,(H,6,8)
InChIKeyXSXSFXJJQHBLEH-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.21
Rot. Bonds3

About N-[amino(cyclopropyl)amino]methanethioamide

N-[amino(cyclopropyl)amino]methanethioamide (PubChem CID 174857038) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is N-[amino(cyclopropyl)amino]methanethioamide.

Molecular Properties

Compound NameN-[amino(cyclopropyl)amino]methanethioamide
PubChem CID174857038
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC NameN-[amino(cyclopropyl)amino]methanethioamide
SMILESNN(NC=S)C1CC1
InChIInChI=1S/C4H9N3S/c5-7(6-3-8)4-1-2-4/h3-4H,1-2,5H2,(H,6,8)
InChIKeyXSXSFXJJQHBLEH-UHFFFAOYSA-N
XLogP-0.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino(cyclopropyl)amino]methanethioamide?
The IUPAC name of N-[amino(cyclopropyl)amino]methanethioamide (CID 174857038) is N-[amino(cyclopropyl)amino]methanethioamide.
What is the SMILES notation for N-[amino(cyclopropyl)amino]methanethioamide?
The canonical SMILES for N-[amino(cyclopropyl)amino]methanethioamide is NN(NC=S)C1CC1.
What is the InChIKey of N-[amino(cyclopropyl)amino]methanethioamide?
The InChIKey is XSXSFXJJQHBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c5-7(6-3-8)4-1-2-4/h3-4H,1-2,5H2,(H,6,8).
What are the key properties of N-[amino(cyclopropyl)amino]methanethioamide?
N-[amino(cyclopropyl)amino]methanethioamide has a molecular weight of 131.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(cyclopropyl)amino]methanethioamide is sourced from PubChem (CID 174857038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).