1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea

C7H17N5S — CID 23043216

IUPAC1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea
SMILESCC1CCN(NNC(=S)NN)CC1
InChIInChI=1S/C7H17N5S/c1-6-2-4-12(5-3-6)11-10-7(13)9-8/h6,11H,2-5,8H2,1H3,(H2,9,10,13)
InChIKeyWJRFYXVEVLOZNQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.52
Rot. Bonds2

About 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea

1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea (PubChem CID 23043216) has the molecular formula C7H17N5S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea
PubChem CID23043216
Molecular FormulaC7H17N5S
Molecular Weight203.31 g/mol
Exact Mass203.12
IUPAC Name1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea
SMILESCC1CCN(NNC(=S)NN)CC1
InChIInChI=1S/C7H17N5S/c1-6-2-4-12(5-3-6)11-10-7(13)9-8/h6,11H,2-5,8H2,1H3,(H2,9,10,13)
InChIKeyWJRFYXVEVLOZNQ-UHFFFAOYSA-N
XLogP-0.52
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea?
The IUPAC name of 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea (CID 23043216) is 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea.
What is the SMILES notation for 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea?
The canonical SMILES for 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea is CC1CCN(NNC(=S)NN)CC1.
What is the InChIKey of 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea?
The InChIKey is WJRFYXVEVLOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5S/c1-6-2-4-12(5-3-6)11-10-7(13)9-8/h6,11H,2-5,8H2,1H3,(H2,9,10,13).
What are the key properties of 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea?
1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea has a molecular weight of 203.31 g/mol, XLogP of -0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4-methylpiperidin-1-yl)amino]thiourea is sourced from PubChem (CID 23043216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).