S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine

C7H17N3S — CID 145074100

IUPACS-[(4-aminocyclohexyl)methylamino]thiohydroxylamine
SMILESNSNCC1CCC(N)CC1
InChIInChI=1S/C7H17N3S/c8-7-3-1-6(2-4-7)5-10-11-9/h6-7,10H,1-5,8-9H2
InChIKeyYJVCWWNNQNDUIW-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.62
Rot. Bonds3

About S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine

S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine (PubChem CID 145074100) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine.

Molecular Properties

Compound NameS-[(4-aminocyclohexyl)methylamino]thiohydroxylamine
PubChem CID145074100
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC NameS-[(4-aminocyclohexyl)methylamino]thiohydroxylamine
SMILESNSNCC1CCC(N)CC1
InChIInChI=1S/C7H17N3S/c8-7-3-1-6(2-4-7)5-10-11-9/h6-7,10H,1-5,8-9H2
InChIKeyYJVCWWNNQNDUIW-UHFFFAOYSA-N
XLogP0.62
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine?
The IUPAC name of S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine (CID 145074100) is S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine.
What is the SMILES notation for S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine?
The canonical SMILES for S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine is NSNCC1CCC(N)CC1.
What is the InChIKey of S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine?
The InChIKey is YJVCWWNNQNDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c8-7-3-1-6(2-4-7)5-10-11-9/h6-7,10H,1-5,8-9H2.
What are the key properties of S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine?
S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine has a molecular weight of 175.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(4-aminocyclohexyl)methylamino]thiohydroxylamine is sourced from PubChem (CID 145074100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).