1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol

C14H28N2O4S — CID 132971163

IUPAC1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H28N2O4S/c1-2-20-12-13(17)11-15-9-5-14(6-10-15)21(18,19)16-7-3-4-8-16/h13-14,17H,2-12H2,1H3
InChIKeyZNSZGPNYTNNLGP-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.27
Rot. Bonds7

About 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol

1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol (PubChem CID 132971163) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
PubChem CID132971163
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H28N2O4S/c1-2-20-12-13(17)11-15-9-5-14(6-10-15)21(18,19)16-7-3-4-8-16/h13-14,17H,2-12H2,1H3
InChIKeyZNSZGPNYTNNLGP-UHFFFAOYSA-N
XLogP0.27
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-[3-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 154748134

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol (CID 132971163) is 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol is CCOCC(O)CN1CCC(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol?
The InChIKey is ZNSZGPNYTNNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-2-20-12-13(17)11-15-9-5-14(6-10-15)21(18,19)16-7-3-4-8-16/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol?
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 132971163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).