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

C10H17N3O4S2 — CID 106383823

IUPAC3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCC(CO)C2)cs1
InChIInChI=1S/C10H17N3O4S2/c14-6-8-2-1-3-13(5-8)19(16,17)11-4-9-7-18-10(15)12-9/h7-8,11,14H,1-6H2,(H,12,15)
InChIKeyKQSYUQWXDQYNSS-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.52
Rot. Bonds5

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

3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106383823) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106383823
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCC(CO)C2)cs1
InChIInChI=1S/C10H17N3O4S2/c14-6-8-2-1-3-13(5-8)19(16,17)11-4-9-7-18-10(15)12-9/h7-8,11,14H,1-6H2,(H,12,15)
InChIKeyKQSYUQWXDQYNSS-UHFFFAOYSA-N
XLogP-0.52
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 ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106383823) is 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is O=c1[nH]c(CNS(=O)(=O)N2CCCC(CO)C2)cs1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is KQSYUQWXDQYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c14-6-8-2-1-3-13(5-8)19(16,17)11-4-9-7-18-10(15)12-9/h7-8,11,14H,1-6H2,(H,12,15).
What are the key properties of 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
3-(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 -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106383823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).