3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea

C8H18N4S — CID 143759755

IUPAC3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea
SMILESCN1CCC[C@@H](N(C)C(=S)NN)C1
InChIInChI=1S/C8H18N4S/c1-11-5-3-4-7(6-11)12(2)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyITOPYKNJNOBQPA-SSDOTTSWSA-N
MW202.33 g/mol
LogP-0.24
Rot. Bonds1

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

3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea (PubChem CID 143759755) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea.

Molecular Properties

Compound Name3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea
PubChem CID143759755
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC Name3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea
SMILESCN1CCC[C@@H](N(C)C(=S)NN)C1
InChIInChI=1S/C8H18N4S/c1-11-5-3-4-7(6-11)12(2)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyITOPYKNJNOBQPA-SSDOTTSWSA-N
XLogP-0.24
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.24
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 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea?
The IUPAC name of 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea (CID 143759755) is 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea.
What is the SMILES notation for 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea?
The canonical SMILES for 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea is CN1CCC[C@@H](N(C)C(=S)NN)C1.
What is the InChIKey of 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea?
The InChIKey is ITOPYKNJNOBQPA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N4S/c1-11-5-3-4-7(6-11)12(2)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13)/t7-/m1/s1.
What are the key properties of 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea?
3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea has a molecular weight of 202.33 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea is sourced from PubChem (CID 143759755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).