(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide

C17H30N2S — CID 40609118

IUPAC(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C(=S)NC2CCCCC2)C1
InChIInChI=1S/C17H30N2S/c1-16(2)9-14-10-17(3,11-16)12-19(14)15(20)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-,17-/m0/s1
InChIKeyPBRINRBAVCZOAH-YOEHRIQHSA-N
MW294.51 g/mol
LogP4.09
Rot. Bonds1

About (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide

(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide (PubChem CID 40609118) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide.

Molecular Properties

Compound Name(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
PubChem CID40609118
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C(=S)NC2CCCCC2)C1
InChIInChI=1S/C17H30N2S/c1-16(2)9-14-10-17(3,11-16)12-19(14)15(20)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-,17-/m0/s1
InChIKeyPBRINRBAVCZOAH-YOEHRIQHSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide with MolForge

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Related Compounds

N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
(1R,5R)-1,3,3-trimethyl-N-(2-methylprop-2-enyl)-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 98157710
(1S,5R)-N-(2-fluorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 7962412
(1S,5S)-N-(2,6-dimethylphenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 7733576
(1R,5S)-N-(2-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 2385774
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate
CID 4308523
(1R,5S)-1,3,3-trimethyl-N-(thiophen-2-ylmethyl)-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 2401168
piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
CID 119261766
N-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioyl]thiophene-2-carboxamide
CID 98289115
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
(1R,5S)-1,3,3-trimethyl-N-[[(1R,3S)-3-[[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]methyl]cyclohexyl]methyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98159198

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The IUPAC name of (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide (CID 40609118) is (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide.
What is the SMILES notation for (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The canonical SMILES for (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is CC1(C)C[C@H]2C[C@](C)(CN2C(=S)NC2CCCCC2)C1.
What is the InChIKey of (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The InChIKey is PBRINRBAVCZOAH-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H30N2S/c1-16(2)9-14-10-17(3,11-16)12-19(14)15(20)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-,17-/m0/s1.
What are the key properties of (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide has a molecular weight of 294.51 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is sourced from PubChem (CID 40609118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).