cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate

C15H20ClNO4S — CID 171504734

IUPACcis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C15H20ClNO4S/c1-21-14(18)15(9-11-4-3-5-12(16)8-11)7-6-13(10-15)17-22(2,19)20/h3-5,8,13,17H,6-7,9-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMHPWRZCSIHXSCE-DZGCQCFKSA-N
MW345.85 g/mol
LogP2.14
Rot. Bonds5

About cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate

cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate (PubChem CID 171504734) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
PubChem CID171504734
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Namecis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C15H20ClNO4S/c1-21-14(18)15(9-11-4-3-5-12(16)8-11)7-6-13(10-15)17-22(2,19)20/h3-5,8,13,17H,6-7,9-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMHPWRZCSIHXSCE-DZGCQCFKSA-N
XLogP2.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-1-[[3-(5-chloropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504797
cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 172613315
cis-methyl (1R,3S)-1-[[4-fluoro-3-(2-methyl-4-phenylmethoxy-1,3-thiazol-5-yl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613039
cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504776
1-[(3-chlorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65392667
N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
CID 171504874
cis-(1R,3S)-1-[[4-chloro-3-(5-fluoropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504710
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
methyl (2S)-1'-[(3-chlorophenyl)methyl]-2-[(2R)-3-hydroxy-2-methylpropyl]spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-carboxylate
CID 171465576
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522
methyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate
CID 11961000

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate (CID 171504734) is cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate is COC(=O)[C@@]1(Cc2cccc(Cl)c2)CC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate?
The InChIKey is MHPWRZCSIHXSCE-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-21-14(18)15(9-11-4-3-5-12(16)8-11)7-6-13(10-15)17-22(2,19)20/h3-5,8,13,17H,6-7,9-10H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate?
cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate has a molecular weight of 345.85 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate is sourced from PubChem (CID 171504734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).