[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol

C12H23NS — CID 104969264

IUPAC[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol
SMILESC[C@@H]1CCC[C@H](C)N1CC1(CS)CC1
InChIInChI=1S/C12H23NS/c1-10-4-3-5-11(2)13(10)8-12(9-14)6-7-12/h10-11,14H,3-9H2,1-2H3/t10-,11+
InChIKeyBGQKNIWUNMBYGO-PHIMTYICSA-N
MW213.39 g/mol
LogP2.96
Rot. Bonds3

About [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol

[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol (PubChem CID 104969264) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol.

Molecular Properties

Compound Name[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol
PubChem CID104969264
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol
SMILESC[C@@H]1CCC[C@H](C)N1CC1(CS)CC1
InChIInChI=1S/C12H23NS/c1-10-4-3-5-11(2)13(10)8-12(9-14)6-7-12/h10-11,14H,3-9H2,1-2H3/t10-,11+
InChIKeyBGQKNIWUNMBYGO-PHIMTYICSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol 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

[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanamine
CID 104967782
[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanethiol
CID 83223920
[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine
CID 115444989
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
1-(2,6-dimethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107021616
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64679083
[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclobutyl]methanethiol
CID 114597778
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol?
The IUPAC name of [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol (CID 104969264) is [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol.
What is the SMILES notation for [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol?
The canonical SMILES for [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol is C[C@@H]1CCC[C@H](C)N1CC1(CS)CC1.
What is the InChIKey of [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol?
The InChIKey is BGQKNIWUNMBYGO-PHIMTYICSA-N. The full InChI is InChI=1S/C12H23NS/c1-10-4-3-5-11(2)13(10)8-12(9-14)6-7-12/h10-11,14H,3-9H2,1-2H3/t10-,11+.
What are the key properties of [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol?
[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol has a molecular weight of 213.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol is sourced from PubChem (CID 104969264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).