methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate

C10H14ClNO4S2 — CID 40820270

IUPACmethyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C10H14ClNO4S2/c1-6(2)9(10(13)16-3)12-18(14,15)8-5-4-7(11)17-8/h4-6,9,12H,1-3H3/t9-/m1/s1
InChIKeyLRARODRVRVOIAO-SECBINFHSA-N
MW311.81 g/mol
LogP1.88
Rot. Bonds5

About methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate

methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate (PubChem CID 40820270) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate
PubChem CID40820270
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Namemethyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate
SMILESCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C10H14ClNO4S2/c1-6(2)9(10(13)16-3)12-18(14,15)8-5-4-7(11)17-8/h4-6,9,12H,1-3H3/t9-/m1/s1
InChIKeyLRARODRVRVOIAO-SECBINFHSA-N
XLogP1.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate 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

Ethyl 4-(5-chlorothiophene-2-sulfonamido)butanoate
CID 2080625
Ethyl 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetate
CID 53529525
Methyl 2-amino-3-(2,5-dichlorothiophene-3-sulfonamido)propanoate hydrochloride
CID 165829456
ethyl (2R)-2-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 2809555
2-[(5-Chlorothiophen-2-yl)sulfonylamino]-5,5,5-trifluoro-3-methylpentanoic acid
CID 68428404
(2S,3S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,5,5-trifluoro-3-methylpentanoic acid
CID 68428406
2-[(5-Chlorothiophen-2-yl)sulfonylamino]-3-ethyl-5,5,5-trifluoropentanoic acid
CID 68430108
methyl N-[(5-chlorothien-2-yl)sulfonyl]-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)-dl-norvalinate
CID 86594495
Methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 87451510
methyl (2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentanoate
CID 87451978
Methyl n-[(4-bromo-5-chloro thien-2-yl)sulfonyl]-4,4,4,4',4',4'-hexafluorovalinate
CID 87452070
Methyl n-[(4-bromo-5-chloro-thien-2-yl)sulfonyl]-4,4,4,4',4',4'-hexafluoro-DL-valinate
CID 87452071

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate (CID 40820270) is methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate is COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)C.
What is the InChIKey of methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate?
The InChIKey is LRARODRVRVOIAO-SECBINFHSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-6(2)9(10(13)16-3)12-18(14,15)8-5-4-7(11)17-8/h4-6,9,12H,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate?
methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate has a molecular weight of 311.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 40820270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).