methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate

C13H18N2O4S2 — CID 138701262

IUPACmethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1
InChIInChI=1S/C13H18N2O4S2/c1-19-11(16)13(6-2-3-7-13)10-8-20-12(14-10)15-21(17,18)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyQIFPQDRWXGKHRJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.03
Rot. Bonds5

About methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate

methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate (PubChem CID 138701262) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate
PubChem CID138701262
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Namemethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1
InChIInChI=1S/C13H18N2O4S2/c1-19-11(16)13(6-2-3-7-13)10-8-20-12(14-10)15-21(17,18)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyQIFPQDRWXGKHRJ-UHFFFAOYSA-N
XLogP2.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-(difluoromethylidene)cyclohexane-1-carboxylate
CID 178959109
Methyl 1-(2-aminothiazol-4-yl)cyclopropane-1-carboxylate
CID 137407755
Methyl 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 138673478
Methyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 138673483
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-methoxybutanoic acid
CID 138673534
Methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673546
1-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
CID 138673572
Methyl 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673625
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 138673668
Ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate
CID 138673705
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoic acid
CID 138673715
2-[2-(Cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 138673726

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate (CID 138701262) is methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate is COC(=O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1.
What is the InChIKey of methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate?
The InChIKey is QIFPQDRWXGKHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-19-11(16)13(6-2-3-7-13)10-8-20-12(14-10)15-21(17,18)9-4-5-9/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate?
methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 138701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).