2-(2,6-dimethylpiperidin-1-yl)ethanethiol

C9H19NS — CID 19607260

IUPAC2-(2,6-dimethylpiperidin-1-yl)ethanethiol
SMILESCC1CCCC(C)N1CCS
InChIInChI=1S/C9H19NS/c1-8-4-3-5-9(2)10(8)6-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyVDCLJMQQYJFQAI-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.18
Rot. Bonds2

About 2-(2,6-dimethylpiperidin-1-yl)ethanethiol

2-(2,6-dimethylpiperidin-1-yl)ethanethiol (PubChem CID 19607260) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)ethanethiol
PubChem CID19607260
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)ethanethiol
SMILESCC1CCCC(C)N1CCS
InChIInChI=1S/C9H19NS/c1-8-4-3-5-9(2)10(8)6-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyVDCLJMQQYJFQAI-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.18
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

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
1-hexyl-2,6-dimethylpiperidine
CID 6428887
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862
2-amino-4-(2,6-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64798894
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanethiol
CID 104969264
2,6-dimethyl-1-pent-4-ynylpiperidine
CID 115873069
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
CID 60851611
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64679083

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethanethiol?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethanethiol (CID 19607260) is 2-(2,6-dimethylpiperidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)ethanethiol?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)ethanethiol is CC1CCCC(C)N1CCS.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)ethanethiol?
The InChIKey is VDCLJMQQYJFQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8-4-3-5-9(2)10(8)6-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)ethanethiol?
2-(2,6-dimethylpiperidin-1-yl)ethanethiol has a molecular weight of 173.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)ethanethiol is sourced from PubChem (CID 19607260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).