2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol

C10H21NS — CID 114597780

IUPAC2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
SMILESCC1CC(C)C(C)N(CCS)C1
InChIInChI=1S/C10H21NS/c1-8-6-9(2)10(3)11(7-8)4-5-12/h8-10,12H,4-7H2,1-3H3
InChIKeyWHBKEZYURBDBBC-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.28
Rot. Bonds2

About 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol

2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol (PubChem CID 114597780) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
PubChem CID114597780
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
SMILESCC1CC(C)C(C)N(CCS)C1
InChIInChI=1S/C10H21NS/c1-8-6-9(2)10(3)11(7-8)4-5-12/h8-10,12H,4-7H2,1-3H3
InChIKeyWHBKEZYURBDBBC-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.28
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

2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
CID 114593809
4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
CID 114593354
[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclobutyl]methanethiol
CID 114597778
2,3,5-trimethyl-1-prop-2-enylpiperidine
CID 130659291
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
CID 114593869
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol?
The IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol (CID 114597780) is 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol?
The canonical SMILES for 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol is CC1CC(C)C(C)N(CCS)C1.
What is the InChIKey of 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol?
The InChIKey is WHBKEZYURBDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8-6-9(2)10(3)11(7-8)4-5-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol?
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol has a molecular weight of 187.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol is sourced from PubChem (CID 114597780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).