4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide

C10H17N3O3S2 — CID 114133506

IUPAC4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1csc(NS(=O)(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)12-18(15,16)13-4-2-9(6-14)3-5-13/h7,9,14H,2-6H2,1H3,(H,11,12)
InChIKeyZQKNUDAIHCEIQI-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.81
Rot. Bonds4

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

4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 114133506) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
PubChem CID114133506
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1csc(NS(=O)(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)12-18(15,16)13-4-2-9(6-14)3-5-13/h7,9,14H,2-6H2,1H3,(H,11,12)
InChIKeyZQKNUDAIHCEIQI-UHFFFAOYSA-N
XLogP0.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide (CID 114133506) is 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide is Cc1csc(NS(=O)(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is ZQKNUDAIHCEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-8-7-17-10(11-8)12-18(15,16)13-4-2-9(6-14)3-5-13/h7,9,14H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide?
4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 114133506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).