1-amino-3-(1-methylpiperidin-3-yl)thiourea

C7H16N4S — CID 61221292

IUPAC1-amino-3-(1-methylpiperidin-3-yl)thiourea
SMILESCN1CCCC(NC(=S)NN)C1
InChIInChI=1S/C7H16N4S/c1-11-4-2-3-6(5-11)9-7(12)10-8/h6H,2-5,8H2,1H3,(H2,9,10,12)
InChIKeyZTHVARYOWNBFOX-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.58
Rot. Bonds1

About 1-amino-3-(1-methylpiperidin-3-yl)thiourea

1-amino-3-(1-methylpiperidin-3-yl)thiourea (PubChem CID 61221292) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-amino-3-(1-methylpiperidin-3-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-methylpiperidin-3-yl)thiourea
PubChem CID61221292
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name1-amino-3-(1-methylpiperidin-3-yl)thiourea
SMILESCN1CCCC(NC(=S)NN)C1
InChIInChI=1S/C7H16N4S/c1-11-4-2-3-6(5-11)9-7(12)10-8/h6H,2-5,8H2,1H3,(H2,9,10,12)
InChIKeyZTHVARYOWNBFOX-UHFFFAOYSA-N
XLogP-0.58
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.58
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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Related Compounds

N-cyclohexyl-N'-(4-methyl-1-piperazinyl)thiourea
CID 830135
1-Cyclopentyl-3-(4-methylpiperazin-1-yl)thiourea
CID 891603
4-(2-Piperidinoethyl)-3-thiosemicarbazide
CID 2760462
3-Piperidylthiosemicarbazide
CID 129730796
1-Cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea
CID 2958129
4-[2-Dimethylaminopropyl]thiosemicarbazide
CID 5366287
1-Butyl-3-(2-methylpiperidin-1-yl)thiourea
CID 18780552
1-Amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43118346
[2-(2-Methylpiperazin-1-yl)ethylamino]thiourea
CID 57004209
1-[3-(1-methylpiperazin-2-yl)propyl]-2H-tetrazole-5-thione
CID 70534946
2-Methylpiperazine-1-carbothiohydrazide
CID 87548329
3-amino-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]thiourea
CID 143759755

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylpiperidin-3-yl)thiourea?
The IUPAC name of 1-amino-3-(1-methylpiperidin-3-yl)thiourea (CID 61221292) is 1-amino-3-(1-methylpiperidin-3-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1-methylpiperidin-3-yl)thiourea?
The canonical SMILES for 1-amino-3-(1-methylpiperidin-3-yl)thiourea is CN1CCCC(NC(=S)NN)C1.
What is the InChIKey of 1-amino-3-(1-methylpiperidin-3-yl)thiourea?
The InChIKey is ZTHVARYOWNBFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-11-4-2-3-6(5-11)9-7(12)10-8/h6H,2-5,8H2,1H3,(H2,9,10,12).
What are the key properties of 1-amino-3-(1-methylpiperidin-3-yl)thiourea?
1-amino-3-(1-methylpiperidin-3-yl)thiourea has a molecular weight of 188.30 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpiperidin-3-yl)thiourea is sourced from PubChem (CID 61221292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).