[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone

C13H23NO3S — CID 82691873

IUPAC[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H23NO3S/c15-8-9-17-11-4-6-14(7-5-11)13(16)12-3-1-2-10-18-12/h11-12,15H,1-10H2
InChIKeyPSAVNMGLRMZNOS-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.27
Rot. Bonds4

About [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone

[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone (PubChem CID 82691873) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
PubChem CID82691873
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H23NO3S/c15-8-9-17-11-4-6-14(7-5-11)13(16)12-3-1-2-10-18-12/h11-12,15H,1-10H2
InChIKeyPSAVNMGLRMZNOS-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl(thian-2-yl)methanone
CID 80596392
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696323
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
4-(thiane-2-carbonyl)piperazine-1-carbaldehyde
CID 110850168
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015371
[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695746
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
CID 119423169
(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696222
6-azaspiro[2.5]octan-2-yl-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696224

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone (CID 82691873) is [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone is O=C(C1CCCCS1)N1CCC(OCCO)CC1.
What is the InChIKey of [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone?
The InChIKey is PSAVNMGLRMZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c15-8-9-17-11-4-6-14(7-5-11)13(16)12-3-1-2-10-18-12/h11-12,15H,1-10H2.
What are the key properties of [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone?
[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone has a molecular weight of 273.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 82691873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).