N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C10H13N3O2S2 — CID 35276912

IUPACN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C10H13N3O2S2/c1-8(9-6-11-13(2)7-9)12-17(14,15)10-4-3-5-16-10/h3-8,12H,1-2H3/t8-/m0/s1
InChIKeyQXYMXRHNZFSGBQ-QMMMGPOBSA-N
MW271.37 g/mol
LogP1.52
Rot. Bonds4

About N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 35276912) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID35276912
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccs1)c1cnn(C)c1
InChIInChI=1S/C10H13N3O2S2/c1-8(9-6-11-13(2)7-9)12-17(14,15)10-4-3-5-16-10/h3-8,12H,1-2H3/t8-/m0/s1
InChIKeyQXYMXRHNZFSGBQ-QMMMGPOBSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
CID 131896768
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526182
[4-[(1R)-1-(thiophen-2-ylsulfonylamino)ethyl]phenyl] trifluoromethanesulfonate
CID 23633403
3-methyl-4-[1-(1-methylpyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 146121415
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
CID 128992375
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-sulfonamide
CID 9188942
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 97207164

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 35276912) is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is C[C@H](NS(=O)(=O)c1cccs1)c1cnn(C)c1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QXYMXRHNZFSGBQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-8(9-6-11-13(2)7-9)12-17(14,15)10-4-3-5-16-10/h3-8,12H,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 35276912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).