[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea

C11H18N4OS — CID 168979130

IUPAC[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea
SMILESNC(=S)NNC(=O)C1CCN([C@H]2C=CC2)CC1
InChIInChI=1S/C11H18N4OS/c12-11(17)14-13-10(16)8-4-6-15(7-5-8)9-2-1-3-9/h1-2,8-9H,3-7H2,(H,13,16)(H3,12,14,17)/t9-/m0/s1
InChIKeyFJIRKSHCVKPHHW-VIFPVBQESA-N
MW254.36 g/mol
LogP-0.11
Rot. Bonds2

About [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea

[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea (PubChem CID 168979130) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea.

Molecular Properties

Compound Name[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea
PubChem CID168979130
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea
SMILESNC(=S)NNC(=O)C1CCN([C@H]2C=CC2)CC1
InChIInChI=1S/C11H18N4OS/c12-11(17)14-13-10(16)8-4-6-15(7-5-8)9-2-1-3-9/h1-2,8-9H,3-7H2,(H,13,16)(H3,12,14,17)/t9-/m0/s1
InChIKeyFJIRKSHCVKPHHW-VIFPVBQESA-N
XLogP-0.11
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea with MolForge

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Related Compounds

[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
1-cyclohex-2-en-1-ylpiperidine-4-carboxamide
CID 171914153
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
[(2-methylcyclopentanecarbonyl)amino]thiourea
CID 107185420
[(5-methyloxolane-2-carbonyl)amino]thiourea
CID 81327300
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
CID 30002190

Frequently Asked Questions

What is the IUPAC name of [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea?
The IUPAC name of [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea (CID 168979130) is [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea.
What is the SMILES notation for [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea?
The canonical SMILES for [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea is NC(=S)NNC(=O)C1CCN([C@H]2C=CC2)CC1.
What is the InChIKey of [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea?
The InChIKey is FJIRKSHCVKPHHW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4OS/c12-11(17)14-13-10(16)8-4-6-15(7-5-8)9-2-1-3-9/h1-2,8-9H,3-7H2,(H,13,16)(H3,12,14,17)/t9-/m0/s1.
What are the key properties of [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea?
[[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea has a molecular weight of 254.36 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(1R)-cyclobut-2-en-1-yl]piperidine-4-carbonyl]amino]thiourea is sourced from PubChem (CID 168979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).