1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol

C12H23NS — CID 134203262

IUPAC1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol
SMILESCC[C@@H]1CCN(C2CC2)C[C@@H]1C(C)S
InChIInChI=1S/C12H23NS/c1-3-10-6-7-13(11-4-5-11)8-12(10)9(2)14/h9-12,14H,3-8H2,1-2H3/t9?,10-,12-/m1/s1
InChIKeyMUWZGVSJYUETAB-GTFYECCDSA-N
MW213.39 g/mol
LogP2.82
Rot. Bonds3

About 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol

1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol (PubChem CID 134203262) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol.

Molecular Properties

Compound Name1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol
PubChem CID134203262
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol
SMILESCC[C@@H]1CCN(C2CC2)C[C@@H]1C(C)S
InChIInChI=1S/C12H23NS/c1-3-10-6-7-13(11-4-5-11)8-12(10)9(2)14/h9-12,14H,3-8H2,1-2H3/t9?,10-,12-/m1/s1
InChIKeyMUWZGVSJYUETAB-GTFYECCDSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
CID 134195657
bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine);bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine)
CID 158296640
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
(3R,4R)-1-cyclobutyl-3-(disulfanyl)-4-(2-methylpropyl)piperidine
CID 134203233
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-cyclopropyl-3-ethylpiperidine
CID 76560892
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
CID 134203220
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol?
The IUPAC name of 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol (CID 134203262) is 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol.
What is the SMILES notation for 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol?
The canonical SMILES for 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol is CC[C@@H]1CCN(C2CC2)C[C@@H]1C(C)S.
What is the InChIKey of 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol?
The InChIKey is MUWZGVSJYUETAB-GTFYECCDSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-10-6-7-13(11-4-5-11)8-12(10)9(2)14/h9-12,14H,3-8H2,1-2H3/t9?,10-,12-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol?
1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol has a molecular weight of 213.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol is sourced from PubChem (CID 134203262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).