2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol

C10H21NOS — CID 130490428

IUPAC2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
SMILESCSC1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C10H21NOS/c1-10(2,12)8-11-6-4-9(13-3)5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyLEGXZLKAZFZBKI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.58
Rot. Bonds3

About 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol

2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol (PubChem CID 130490428) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
PubChem CID130490428
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
SMILESCSC1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C10H21NOS/c1-10(2,12)8-11-6-4-9(13-3)5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyLEGXZLKAZFZBKI-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
Dimethyl-2-(thiomorpholin-4-yl)ethanol
CID 60886309
2-(2-Propylthiomorpholin-4-yl)ethanol
CID 67998080
2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
Ethane;1-ethyl-4-methylsulfanylpiperidin-4-ol
CID 170737557
Ethane;1-ethyl-4-methylsulfanylpiperidin-4-ol
CID 170737861
(2R)-1-butylsulfanyl-3-piperidin-1-ylpropan-2-ol
CID 2055127
(2S)-1-butylsulfanyl-3-piperidin-1-ylpropan-2-ol
CID 2055129
1-Ethylsulfanyl-3-piperidin-1-ylpropan-2-ol
CID 12345742
2-Methyl-1-(3-methylthiomorpholin-4-yl)propan-2-ol
CID 64052780
1-(2,6-Dimethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 64119798
1-(2-Ethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 71988549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol (CID 130490428) is 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol is CSC1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol?
The InChIKey is LEGXZLKAZFZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,12)8-11-6-4-9(13-3)5-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol?
2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 130490428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).