3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

C14H29NO4S — CID 116752854

IUPAC3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCCC(CC)(OC)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H29NO4S/c1-5-14(6-2,19-3)13(16)10-12-8-7-9-15(11-12)20(4,17)18/h12-13,16H,5-11H2,1-4H3
InChIKeyNLTJTBXKLRQUDL-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.61
Rot. Bonds7

About 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (PubChem CID 116752854) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
PubChem CID116752854
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCCC(CC)(OC)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H29NO4S/c1-5-14(6-2,19-3)13(16)10-12-8-7-9-15(11-12)20(4,17)18/h12-13,16H,5-11H2,1-4H3
InChIKeyNLTJTBXKLRQUDL-UHFFFAOYSA-N
XLogP1.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116711480
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The IUPAC name of 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (CID 116752854) is 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.
What is the SMILES notation for 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The canonical SMILES for 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is CCC(CC)(OC)C(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The InChIKey is NLTJTBXKLRQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-5-14(6-2,19-3)13(16)10-12-8-7-9-15(11-12)20(4,17)18/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol has a molecular weight of 307.46 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is sourced from PubChem (CID 116752854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).