2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

C10H17N3O4S2 — CID 106383812

IUPAC2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCCC2CO)cs1
InChIInChI=1S/C10H17N3O4S2/c14-6-9-3-1-2-4-13(9)19(16,17)11-5-8-7-18-10(15)12-8/h7,9,11,14H,1-6H2,(H,12,15)
InChIKeyAFOJXIOWHUXYHI-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.38
Rot. Bonds5

About 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106383812) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106383812
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCCC2CO)cs1
InChIInChI=1S/C10H17N3O4S2/c14-6-9-3-1-2-4-13(9)19(16,17)11-5-8-7-18-10(15)12-8/h7,9,11,14H,1-6H2,(H,12,15)
InChIKeyAFOJXIOWHUXYHI-UHFFFAOYSA-N
XLogP-0.38
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380655
4-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381030
4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381031
4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381032
4-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106383821
3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106383823

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106383812) is 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is O=c1[nH]c(CNS(=O)(=O)N2CCCCC2CO)cs1.
What is the InChIKey of 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is AFOJXIOWHUXYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c14-6-9-3-1-2-4-13(9)19(16,17)11-5-8-7-18-10(15)12-8/h7,9,11,14H,1-6H2,(H,12,15).
What are the key properties of 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).