[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol

C15H22N2O3S — CID 61407456

IUPAC[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1CO
InChIInChI=1S/C15H22N2O3S/c18-11-13-5-1-2-9-17(13)21(19,20)14-6-7-15-12(10-14)4-3-8-16-15/h6-7,10,13,16,18H,1-5,8-9,11H2
InChIKeyYKYVSBRSBJMBBN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.58
Rot. Bonds3

About [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol

[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol (PubChem CID 61407456) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
PubChem CID61407456
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1CO
InChIInChI=1S/C15H22N2O3S/c18-11-13-5-1-2-9-17(13)21(19,20)14-6-7-15-12(10-14)4-3-8-16-15/h6-7,10,13,16,18H,1-5,8-9,11H2
InChIKeyYKYVSBRSBJMBBN-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43613589
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol (CID 61407456) is [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1CO.
What is the InChIKey of [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is YKYVSBRSBJMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-11-13-5-1-2-9-17(13)21(19,20)14-6-7-15-12(10-14)4-3-8-16-15/h6-7,10,13,16,18H,1-5,8-9,11H2.
What are the key properties of [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol?
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol has a molecular weight of 310.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol is sourced from PubChem (CID 61407456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).