N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C12H17N3O3S2 — CID 97417554

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3/t11-/m0/s1
InChIKeyJBNGIOOCXRZRNZ-NSHDSACASA-N
MW315.42 g/mol
LogP1.46
Rot. Bonds6

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 97417554) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID97417554
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3/t11-/m0/s1
InChIKeyJBNGIOOCXRZRNZ-NSHDSACASA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873984
N-[(2R)-2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 129531424
N-[(2S)-2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 129531894
1-methyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 44061299
2-(1-Methylpyrazol-4-yl)-2-(thiophen-2-ylmethoxy)ethanamine
CID 61627616
1-(1-Methylpyrazol-4-yl)-1-(thiophen-2-ylmethoxy)butan-2-amine
CID 61627658
2-(1-Methylpyrazol-4-yl)-2-(2-thiophen-2-ylethoxy)ethanamine
CID 61627659
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810413
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810417
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147623
N-[2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147819
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 86264395

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 97417554) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is CO[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is JBNGIOOCXRZRNZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 97417554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).