1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol

C11H23NOS — CID 130802828

IUPAC1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CC(C)(C)CS)C1
InChIInChI=1S/C11H23NOS/c1-9-4-10(13)6-12(5-9)7-11(2,3)8-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyYYNIUGYWCOMOPA-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.65
Rot. Bonds3

About 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol

1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol (PubChem CID 130802828) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
PubChem CID130802828
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(CC(C)(C)CS)C1
InChIInChI=1S/C11H23NOS/c1-9-4-10(13)6-12(5-9)7-11(2,3)8-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyYYNIUGYWCOMOPA-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
CID 130802863
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812
5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
CID 130941612
(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol
CID 130802830
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
1-ethyl-6-methylazepan-4-ol
CID 166157584
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
CID 130826332

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol?
The IUPAC name of 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol (CID 130802828) is 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol?
The canonical SMILES for 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol is CC1CC(O)CN(CC(C)(C)CS)C1.
What is the InChIKey of 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol?
The InChIKey is YYNIUGYWCOMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9-4-10(13)6-12(5-9)7-11(2,3)8-14/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol?
1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol has a molecular weight of 217.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).