methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate

C18H24N2O5S — CID 163144259

IUPACmethyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O5S/c1-25-18(22)16-13-19(17(21)14-7-5-6-8-14)11-12-20(16)26(23,24)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3/t16-/m1/s1
InChIKeyKXTLTUWKMKBHHC-MRXNPFEDSA-N
MW380.47 g/mol
LogP1.25
Rot. Bonds4

About methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate

methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate (PubChem CID 163144259) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
PubChem CID163144259
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Namemethyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O5S/c1-25-18(22)16-13-19(17(21)14-7-5-6-8-14)11-12-20(16)26(23,24)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3/t16-/m1/s1
InChIKeyKXTLTUWKMKBHHC-MRXNPFEDSA-N
XLogP1.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-4-(cyclopentanecarbonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161585
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
methyl (2S)-2-[[(2R)-1-(benzenesulfonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-cyclohexylpropanoate
CID 45361720
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161589
methyl 1-(3-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 60700632
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate (CID 163144259) is methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The InChIKey is KXTLTUWKMKBHHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-25-18(22)16-13-19(17(21)14-7-5-6-8-14)11-12-20(16)26(23,24)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3/t16-/m1/s1.
What are the key properties of methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate?
methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 163144259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).