N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide

C14H22N4OS — CID 3554078

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide
SMILESNNC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N4OS/c15-17-13(19)10-3-5-18(6-4-10)14(20)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8,15H2,(H,16,20)(H,17,19)
InChIKeyRHPDTMPEEMZLQX-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.53
Rot. Bonds2

About N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide

N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide (PubChem CID 3554078) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide
PubChem CID3554078
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide
SMILESNNC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N4OS/c15-17-13(19)10-3-5-18(6-4-10)14(20)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8,15H2,(H,16,20)(H,17,19)
InChIKeyRHPDTMPEEMZLQX-UHFFFAOYSA-N
XLogP0.53
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-bicyclo[2.2.1]hept-5-enyl)piperidine-1-carbothioamide
CID 4233369
N-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-4-[3-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]carbamothioyl]piperidin-4-yl]propyl]piperidine-1-carbothioamide
CID 99935832
1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]carbamothioyl]-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]piperidine-4-carboxamide
CID 99936924
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(2-bicyclo[2.2.1]hept-5-enylcarbamothioylamino)thiourea
CID 2803212
1-[(2-bicyclo[2.2.1]hept-5-enylamino)carbamothioyl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 135520610
(4R)-1-[[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]carbamothioyl]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 136728364
1-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-cyclododecylthiourea
CID 7189055
(3R)-3-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 146597457
1-(2,2,3-trimethylbutanoyl)piperidine-4-carbohydrazide
CID 69473843
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(propan-2-ylcarbamothioylamino)thiourea
CID 98083223
2-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 98065056
1-(2-bicyclo[2.2.1]heptanylcarbamothioyl)pyrrolidine-3-carboxamide
CID 71893772

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide (CID 3554078) is N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide is NNC(=O)C1CCN(C(=S)NC2CC3C=CC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide?
The InChIKey is RHPDTMPEEMZLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c15-17-13(19)10-3-5-18(6-4-10)14(20)16-12-8-9-1-2-11(12)7-9/h1-2,9-12H,3-8,15H2,(H,16,20)(H,17,19).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide has a molecular weight of 294.42 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-(hydrazinecarbonyl)piperidine-1-carbothioamide is sourced from PubChem (CID 3554078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).