(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol

C10H19NO5S2 — CID 94347275

IUPAC(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2/t9-/m0/s1
InChIKeyTUCXPUJVEFNWLT-VIFPVBQESA-N
MW297.40 g/mol
LogP-0.65
Rot. Bonds2

About (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol

(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol (PubChem CID 94347275) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
PubChem CID94347275
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2/t9-/m0/s1
InChIKeyTUCXPUJVEFNWLT-VIFPVBQESA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62085839
4-[3-(chloromethyl)piperidin-1-yl]sulfonylthiane 1,1-dioxide
CID 63397522
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030464
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960902
1-(2,2-difluorocyclopropyl)sulfonylpiperidin-3-ol
CID 169117417
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
CID 62086020
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol (CID 94347275) is (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol is O=S1(=O)CCC(S(=O)(=O)N2CCC[C@H](O)C2)CC1.
What is the InChIKey of (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
The InChIKey is TUCXPUJVEFNWLT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-9-2-1-5-11(8-9)18(15,16)10-3-6-17(13,14)7-4-10/h9-10,12H,1-8H2/t9-/m0/s1.
What are the key properties of (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol?
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 94347275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).