cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate

C17H25NO5S — CID 100602479

IUPACcis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C17H25NO5S/c1-13-7-9-14(10-8-13)23-12-11-18(2)24(20,21)16-6-4-5-15(16)17(19)22-3/h7-10,15-16H,4-6,11-12H2,1-3H3/t15-,16+/m1/s1
InChIKeySZHAXYOAMQHIFB-CVEARBPZSA-N
MW355.46 g/mol
LogP1.98
Rot. Bonds7

About cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate

cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 100602479) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
PubChem CID100602479
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Namecis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C17H25NO5S/c1-13-7-9-14(10-8-13)23-12-11-18(2)24(20,21)16-6-4-5-15(16)17(19)22-3/h7-10,15-16H,4-6,11-12H2,1-3H3/t15-,16+/m1/s1
InChIKeySZHAXYOAMQHIFB-CVEARBPZSA-N
XLogP1.98
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
CID 134025780
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343234
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate (CID 100602479) is cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is SZHAXYOAMQHIFB-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-13-7-9-14(10-8-13)23-12-11-18(2)24(20,21)16-6-4-5-15(16)17(19)22-3/h7-10,15-16H,4-6,11-12H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate?
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 100602479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).