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

C14H22N2S — CID 134103650

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N2S/c1-10-4-6-16(7-5-10)14(17)15-13-9-11-2-3-12(13)8-11/h2-3,10-13H,4-9H2,1H3,(H,15,17)
InChIKeyGKOWXPPMMAJMOI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.56
Rot. Bonds1

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

N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide (PubChem CID 134103650) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide
PubChem CID134103650
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H22N2S/c1-10-4-6-16(7-5-10)14(17)15-13-9-11-2-3-12(13)8-11/h2-3,10-13H,4-9H2,1H3,(H,15,17)
InChIKeyGKOWXPPMMAJMOI-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Bicyclo[2.2.1]hept-5-en-2-ylamino)carbothioyl]piperidine-4-carboxamide
CID 2805634
1-(5-Bicyclo[2.2.1]hept-2-enyl)-3-cyclohexylthiourea
CID 2809369
n-Bicyclo(2.2.1)hept-5-en-2-ylthiourea
CID 2804157
N'-bicyclo[2.2.1]hept-5-en-2-yl-N,N-di(2-cyanoethyl)thiourea
CID 2803484
N'-bicyclo[2.2.1]hept-5-en-2-yl-N,N-dipropylthiourea
CID 2809375
N-bicyclo[2.2.1]hept-5-en-2-yl-N'-(1,1-dimethyl-2-propynyl)thiourea
CID 2809367
N4-bicyclo[2.2.1]hept-5-en-2-ylmorpholine-4-carbothioamide
CID 2809368
(3E)-1-(2-bicyclo[2.2.1]hept-5-enyl)-3-(dimethylaminomethylidene)thiourea
CID 9583502
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-cyclododecylthiourea
CID 2809365
1-N,4-N-bis(2-bicyclo[2.2.1]hept-5-enyl)piperazine-1,4-dicarbothioamide
CID 2804124
N-(2-bicyclo[2.2.1]hept-5-enyl)piperidine-1-carbothioamide
CID 4233369
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-methylthiourea
CID 5191152

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide (CID 134103650) is N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide is CC1CCN(C(=S)NC2CC3C=CC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide?
The InChIKey is GKOWXPPMMAJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-4-6-16(7-5-10)14(17)15-13-9-11-2-3-12(13)8-11/h2-3,10-13H,4-9H2,1H3,(H,15,17).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide has a molecular weight of 250.41 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)-4-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 134103650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).