4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide

C12H22N4O3S2 — CID 106262618

IUPAC4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C12H22N4O3S2/c1-9(2)7-11-13-14-12(20-11)15-21(18,19)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyJMBDILYRDUJUGR-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.10
Rot. Bonds6

About 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide

4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide (PubChem CID 106262618) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide
PubChem CID106262618
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C12H22N4O3S2/c1-9(2)7-11-13-14-12(20-11)15-21(18,19)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3,(H,14,15)
InChIKeyJMBDILYRDUJUGR-UHFFFAOYSA-N
XLogP1.10
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide (CID 106262618) is 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide is CC(C)Cc1nnc(NS(=O)(=O)N2CCC(CO)CC2)s1.
What is the InChIKey of 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide?
The InChIKey is JMBDILYRDUJUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-9(2)7-11-13-14-12(20-11)15-21(18,19)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide?
4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide has a molecular weight of 334.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 106262618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).