[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol

C11H21NO3S — CID 117258437

IUPAC[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CC(C2CCS(=O)(=O)C2)CCN1
InChIInChI=1S/C11H21NO3S/c1-11(8-13)6-9(2-4-12-11)10-3-5-16(14,15)7-10/h9-10,12-13H,2-8H2,1H3
InChIKeyBULXFZKIJRHLGG-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.17
Rot. Bonds2

About [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol

[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol (PubChem CID 117258437) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
PubChem CID117258437
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CC(C2CCS(=O)(=O)C2)CCN1
InChIInChI=1S/C11H21NO3S/c1-11(8-13)6-9(2-4-12-11)10-3-5-16(14,15)7-10/h9-10,12-13H,2-8H2,1H3
InChIKeyBULXFZKIJRHLGG-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
CID 117270483
(4-ethyl-2-methylpiperidin-2-yl)methanol
CID 117258535
(2-methyl-4-pyrrolidin-3-ylpyrrolidin-2-yl)methanol
CID 117270353
3-[2-(methoxymethyl)piperidin-4-yl]thiolane 1,1-dioxide
CID 117258436
[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270438
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
5-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7131544
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide
CID 64551944
(4-ethyl-2-methylpyrrolidin-2-yl)methanol
CID 117270750
2-[(1,1-dioxothiolan-3-yl)-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596593

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol?
The IUPAC name of [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol (CID 117258437) is [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol?
The canonical SMILES for [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol is CC1(CO)CC(C2CCS(=O)(=O)C2)CCN1.
What is the InChIKey of [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol?
The InChIKey is BULXFZKIJRHLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(8-13)6-9(2-4-12-11)10-3-5-16(14,15)7-10/h9-10,12-13H,2-8H2,1H3.
What are the key properties of [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol?
[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 117258437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).