1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium

C18H30NS+ — CID 118218593

IUPAC1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium
SMILESCC1CCCC[N+]1(C)[C@]1(c2cccs2)CCCC[C@@H]1C
InChIInChI=1S/C18H30NS/c1-15-9-4-6-12-18(15,17-11-8-14-20-17)19(3)13-7-5-10-16(19)2/h8,11,14-16H,4-7,9-10,12-13H2,1-3H3/q+1/t15-,16?,18+,19?/m0/s1
InChIKeyCEEDZXRNCHNBLW-MEWCUZTCSA-N
MW292.51 g/mol
LogP5.17
Rot. Bonds2

About 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium

1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium (PubChem CID 118218593) has the molecular formula C18H30NS+ and a molecular weight of 292.51 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium
PubChem CID118218593
Molecular FormulaC18H30NS+
Molecular Weight292.51 g/mol
Exact Mass292.21
IUPAC Name1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium
SMILESCC1CCCC[N+]1(C)[C@]1(c2cccs2)CCCC[C@@H]1C
InChIInChI=1S/C18H30NS/c1-15-9-4-6-12-18(15,17-11-8-14-20-17)19(3)13-7-5-10-16(19)2/h8,11,14-16H,4-7,9-10,12-13H2,1-3H3/q+1/t15-,16?,18+,19?/m0/s1
InChIKeyCEEDZXRNCHNBLW-MEWCUZTCSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium?
The IUPAC name of 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium (CID 118218593) is 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium.
What is the SMILES notation for 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium?
The canonical SMILES for 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium is CC1CCCC[N+]1(C)[C@]1(c2cccs2)CCCC[C@@H]1C.
What is the InChIKey of 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium?
The InChIKey is CEEDZXRNCHNBLW-MEWCUZTCSA-N. The full InChI is InChI=1S/C18H30NS/c1-15-9-4-6-12-18(15,17-11-8-14-20-17)19(3)13-7-5-10-16(19)2/h8,11,14-16H,4-7,9-10,12-13H2,1-3H3/q+1/t15-,16?,18+,19?/m0/s1.
What are the key properties of 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium?
1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium has a molecular weight of 292.51 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium is sourced from PubChem (CID 118218593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).