(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine

C17H27NS — CID 10731255

IUPAC(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESC[C@H]1CCCN([C@@]2(c3cccs3)CCCC[C@H]2C)C1
InChIInChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyBBFINCSTQNQPET-UXLLHSPISA-N
MW277.48 g/mol
LogP4.89
Rot. Bonds2

About (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine

(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine (PubChem CID 10731255) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
PubChem CID10731255
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESC[C@H]1CCCN([C@@]2(c3cccs3)CCCC[C@H]2C)C1
InChIInChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKeyBBFINCSTQNQPET-UXLLHSPISA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-methyl-1-[(1S,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10660186
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
CID 10707699
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 44537953
[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
CID 15103557
(2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl)methanol
CID 164513072
1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 67624546
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
1,2-dimethyl-1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidin-1-ium
CID 118218593
1,3-dimethyl-4-thiophen-2-ylpiperidin-4-ol
CID 130834241
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
2-(3-methylpiperidin-1-yl)-2-phenylcyclohexan-1-one
CID 156552583
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine (CID 10731255) is (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine is C[C@H]1CCCN([C@@]2(c3cccs3)CCCC[C@H]2C)C1.
What is the InChIKey of (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
The InChIKey is BBFINCSTQNQPET-UXLLHSPISA-N. The full InChI is InChI=1S/C17H27NS/c1-14-7-5-11-18(13-14)17(16-9-6-12-19-16)10-4-3-8-15(17)2/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3/t14-,15+,17-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine?
(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine has a molecular weight of 277.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine is sourced from PubChem (CID 10731255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).