[(1-methylpiperidine-4-carbonyl)amino]thiourea

C8H16N4OS — CID 45097493

IUPAC[(1-methylpiperidine-4-carbonyl)amino]thiourea
SMILESCN1CCC(C(=O)NNC(N)=S)CC1
InChIInChI=1S/C8H16N4OS/c1-12-4-2-6(3-5-12)7(13)10-11-8(9)14/h6H,2-5H2,1H3,(H,10,13)(H3,9,11,14)
InChIKeyFRRBFDTWIDJHNP-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.81
Rot. Bonds1

About [(1-methylpiperidine-4-carbonyl)amino]thiourea

[(1-methylpiperidine-4-carbonyl)amino]thiourea (PubChem CID 45097493) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is [(1-methylpiperidine-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(1-methylpiperidine-4-carbonyl)amino]thiourea
PubChem CID45097493
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name[(1-methylpiperidine-4-carbonyl)amino]thiourea
SMILESCN1CCC(C(=O)NNC(N)=S)CC1
InChIInChI=1S/C8H16N4OS/c1-12-4-2-6(3-5-12)7(13)10-11-8(9)14/h6H,2-5H2,1H3,(H,10,13)(H3,9,11,14)
InChIKeyFRRBFDTWIDJHNP-UHFFFAOYSA-N
XLogP-0.81
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea
CID 168979130
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
1-methylazecane-6-carboxamide
CID 121218409
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
[(2-methylcyclopentanecarbonyl)amino]thiourea
CID 107185420
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793

Frequently Asked Questions

What is the IUPAC name of [(1-methylpiperidine-4-carbonyl)amino]thiourea?
The IUPAC name of [(1-methylpiperidine-4-carbonyl)amino]thiourea (CID 45097493) is [(1-methylpiperidine-4-carbonyl)amino]thiourea.
What is the SMILES notation for [(1-methylpiperidine-4-carbonyl)amino]thiourea?
The canonical SMILES for [(1-methylpiperidine-4-carbonyl)amino]thiourea is CN1CCC(C(=O)NNC(N)=S)CC1.
What is the InChIKey of [(1-methylpiperidine-4-carbonyl)amino]thiourea?
The InChIKey is FRRBFDTWIDJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-12-4-2-6(3-5-12)7(13)10-11-8(9)14/h6H,2-5H2,1H3,(H,10,13)(H3,9,11,14).
What are the key properties of [(1-methylpiperidine-4-carbonyl)amino]thiourea?
[(1-methylpiperidine-4-carbonyl)amino]thiourea has a molecular weight of 216.31 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpiperidine-4-carbonyl)amino]thiourea is sourced from PubChem (CID 45097493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).