methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate

C15H21NO4S — CID 65043932

IUPACmethyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCCC2S(C)(=O)=O)c1C
InChIInChI=1S/C15H21NO4S/c1-10-11(15(17)20-2)6-4-7-12(10)16-13-8-5-9-14(13)21(3,18)19/h4,6-7,13-14,16H,5,8-9H2,1-3H3
InChIKeyPZUCZVTYWBPFCO-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate

methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate (PubChem CID 65043932) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate
PubChem CID65043932
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCCC2S(C)(=O)=O)c1C
InChIInChI=1S/C15H21NO4S/c1-10-11(15(17)20-2)6-4-7-12(10)16-13-8-5-9-14(13)21(3,18)19/h4,6-7,13-14,16H,5,8-9H2,1-3H3
InChIKeyPZUCZVTYWBPFCO-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-4-[(2-methylsulfonylcyclopentyl)amino]benzoate
CID 65044287
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985
2,6-dimethyl-3-[(2-methylsulfonylcyclopentyl)amino]phenol
CID 65043853
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
methyl 2-methyl-3-(thiolan-3-ylamino)benzoate
CID 43714402
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
CID 103478396
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62840217
2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 65044228

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate (CID 65043932) is methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate is COC(=O)c1cccc(NC2CCCC2S(C)(=O)=O)c1C.
What is the InChIKey of methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate?
The InChIKey is PZUCZVTYWBPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10-11(15(17)20-2)6-4-7-12(10)16-13-8-5-9-14(13)21(3,18)19/h4,6-7,13-14,16H,5,8-9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate?
methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methylsulfonylcyclopentyl)amino]benzoate is sourced from PubChem (CID 65043932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).