2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole

C16H19N3O2S2 — CID 30864238

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H19N3O2S2/c20-23(21,14-4-2-1-3-5-14)19-10-8-13(9-11-19)16-18-17-15(22-16)12-6-7-12/h1-5,12-13H,6-11H2
InChIKeyOHHYAZGHZWMJNB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.98
Rot. Bonds4

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole

2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 30864238) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID30864238
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H19N3O2S2/c20-23(21,14-4-2-1-3-5-14)19-10-8-13(9-11-19)16-18-17-15(22-16)12-6-7-12/h1-5,12-13H,6-11H2
InChIKeyOHHYAZGHZWMJNB-UHFFFAOYSA-N
XLogP2.98
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818682
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 4877808
[4-[1-(benzenesulfonyl)piperidin-4-yl]phenyl]boronic acid
CID 58343660
N-hydroxy-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 59679254
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1436870
2-methyl-5-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole
CID 71780450
2-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 26943990
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1430712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole (CID 30864238) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole is O=S(=O)(c1ccccc1)N1CCC(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is OHHYAZGHZWMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c20-23(21,14-4-2-1-3-5-14)19-10-8-13(9-11-19)16-18-17-15(22-16)12-6-7-12/h1-5,12-13H,6-11H2.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole?
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 349.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 30864238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).