[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol

C12H23NO4S — CID 79623271

IUPAC[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-11(8-13)7-12(9-14)4-6-17-10-12/h11,14H,2-10H2,1H3
InChIKeyFWFVCMLGNIZWIP-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.45
Rot. Bonds4

About [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol

[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol (PubChem CID 79623271) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
PubChem CID79623271
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-11(8-13)7-12(9-14)4-6-17-10-12/h11,14H,2-10H2,1H3
InChIKeyFWFVCMLGNIZWIP-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
CID 103727757
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 79621983
3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
CID 79612932
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol (CID 79623271) is [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol is CS(=O)(=O)N1CCCC(CC2(CO)CCOC2)C1.
What is the InChIKey of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is FWFVCMLGNIZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-11(8-13)7-12(9-14)4-6-17-10-12/h11,14H,2-10H2,1H3.
What are the key properties of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol?
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 79623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).