[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide

C11H21N3O3S2 — CID 126835128

IUPAC[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H21N3O3S2/c12-19(16,17)9-10-3-1-2-4-14(10)11(15)13-5-7-18-8-6-13/h10H,1-9H2,(H2,12,16,17)
InChIKeyYPSDWVAFBMIUIO-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.30
Rot. Bonds2

About [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide

[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide (PubChem CID 126835128) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide
PubChem CID126835128
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC Name[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H21N3O3S2/c12-19(16,17)9-10-3-1-2-4-14(10)11(15)13-5-7-18-8-6-13/h10H,1-9H2,(H2,12,16,17)
InChIKeyYPSDWVAFBMIUIO-UHFFFAOYSA-N
XLogP0.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
CID 90846705
(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 68756695
(1-propanoylpyrrolidin-2-yl)methanesulfonamide
CID 174111492
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
azepan-1-yl(thiomorpholin-4-yl)methanone
CID 116654024
4-[2-(hydroxymethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82904633
[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79155943
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297

Frequently Asked Questions

What is the IUPAC name of [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide?
The IUPAC name of [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide (CID 126835128) is [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCCN1C(=O)N1CCSCC1.
What is the InChIKey of [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide?
The InChIKey is YPSDWVAFBMIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c12-19(16,17)9-10-3-1-2-4-14(10)11(15)13-5-7-18-8-6-13/h10H,1-9H2,(H2,12,16,17).
What are the key properties of [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide?
[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide is sourced from PubChem (CID 126835128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).