1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide

C14H20N4O3S2 — CID 99823190

IUPAC1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1
InChIInChI=1S/C14H20N4O3S2/c1-11(14-15-4-7-22-14)8-17-23(19,20)13-9-16-18(10-13)12-2-5-21-6-3-12/h4,7,9-12,17H,2-3,5-6,8H2,1H3/t11-/m1/s1
InChIKeyLACIPTCSBQSCHF-LLVKDONJSA-N
MW356.47 g/mol
LogP1.77
Rot. Bonds6

About 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide

1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 99823190) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
PubChem CID99823190
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1
InChIInChI=1S/C14H20N4O3S2/c1-11(14-15-4-7-22-14)8-17-23(19,20)13-9-16-18(10-13)12-2-5-21-6-3-12/h4,7,9-12,17H,2-3,5-6,8H2,1H3/t11-/m1/s1
InChIKeyLACIPTCSBQSCHF-LLVKDONJSA-N
XLogP1.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99821322
N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 167788723
N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 138041823
N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 120584893
4-(2-chloroethyl)-N-[2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 104600728
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 99629788
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
2-(oxan-4-yl)-3-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]propanoic acid
CID 167956531
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99713787
5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
CID 167774575

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide (CID 99823190) is 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide is C[C@H](CNS(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1.
What is the InChIKey of 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is LACIPTCSBQSCHF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-11(14-15-4-7-22-14)8-17-23(19,20)13-9-16-18(10-13)12-2-5-21-6-3-12/h4,7,9-12,17H,2-3,5-6,8H2,1H3/t11-/m1/s1.
What are the key properties of 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99823190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).