1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea

C9H20N4S — CID 61499988

IUPAC1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea
SMILESCC(CN1CCCCC1)NC(=S)NN
InChIInChI=1S/C9H20N4S/c1-8(11-9(14)12-10)7-13-5-3-2-4-6-13/h8H,2-7,10H2,1H3,(H2,11,12,14)
InChIKeySVROLAPFOQBBOO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.20
Rot. Bonds3

About 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea

1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea (PubChem CID 61499988) has the molecular formula C9H20N4S and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea
PubChem CID61499988
Molecular FormulaC9H20N4S
Molecular Weight216.35 g/mol
Exact Mass216.14
IUPAC Name1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea
SMILESCC(CN1CCCCC1)NC(=S)NN
InChIInChI=1S/C9H20N4S/c1-8(11-9(14)12-10)7-13-5-3-2-4-6-13/h8H,2-7,10H2,1H3,(H2,11,12,14)
InChIKeySVROLAPFOQBBOO-UHFFFAOYSA-N
XLogP0.20
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
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 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea (CID 61499988) is 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea is CC(CN1CCCCC1)NC(=S)NN.
What is the InChIKey of 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
The InChIKey is SVROLAPFOQBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4S/c1-8(11-9(14)12-10)7-13-5-3-2-4-6-13/h8H,2-7,10H2,1H3,(H2,11,12,14).
What are the key properties of 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea?
1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea has a molecular weight of 216.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea is sourced from PubChem (CID 61499988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).