5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

C15H20N2O5S — CID 146025002

IUPAC5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3CCO)cc21
InChIInChI=1S/C15H20N2O5S/c1-16-13-10-12(5-6-14(13)22-15(16)19)23(20,21)17-8-3-2-4-11(17)7-9-18/h5-6,10-11,18H,2-4,7-9H2,1H3
InChIKeyTXSPFJCBSUZPBL-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.06
Rot. Bonds4

About 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 146025002) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID146025002
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3CCO)cc21
InChIInChI=1S/C15H20N2O5S/c1-16-13-10-12(5-6-14(13)22-15(16)19)23(20,21)17-8-3-2-4-11(17)7-9-18/h5-6,10-11,18H,2-4,7-9H2,1H3
InChIKeyTXSPFJCBSUZPBL-UHFFFAOYSA-N
XLogP1.06
TPSA92.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 61409148
6-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 46966853
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
CID 11501806
2-[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]piperidin-2-yl]ethanol
CID 62144222
3-methyl-5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 90587052
2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 63321689
methyl (2S,4S)-4-methoxy-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 100706107
5-(2-ethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 4064905
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one (CID 146025002) is 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3CCO)cc21.
What is the InChIKey of 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is TXSPFJCBSUZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16-13-10-12(5-6-14(13)22-15(16)19)23(20,21)17-8-3-2-4-11(17)7-9-18/h5-6,10-11,18H,2-4,7-9H2,1H3.
What are the key properties of 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 340.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 146025002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).