methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate

C15H19N3O4S — CID 94811742

IUPACmethyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O4S/c1-12(15(19)22-3)10-17(2)23(20,21)14-9-16-18(11-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1
InChIKeyUXKBKRYUCSLOPB-LBPRGKRZSA-N
MW337.40 g/mol
LogP1.30
Rot. Bonds6

About methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate

methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate (PubChem CID 94811742) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate
PubChem CID94811742
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Namemethyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O4S/c1-12(15(19)22-3)10-17(2)23(20,21)14-9-16-18(11-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1
InChIKeyUXKBKRYUCSLOPB-LBPRGKRZSA-N
XLogP1.30
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-carbamoylphenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61059514
N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
CID 51094143
methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140349
N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
CID 47092048
N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 99799587
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811344
methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811343
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 55702442
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate (CID 94811742) is methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate is COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate?
The InChIKey is UXKBKRYUCSLOPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-12(15(19)22-3)10-17(2)23(20,21)14-9-16-18(11-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate?
methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate has a molecular weight of 337.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 94811742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).