ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

C19H27NO4S — CID 25460390

IUPACethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27NO4S/c1-3-24-18(21)19(14-16-6-7-16)10-12-20(13-11-19)25(22,23)17-8-4-15(2)5-9-17/h4-5,8-9,16H,3,6-7,10-14H2,1-2H3
InChIKeySSLUYTLWLZEYCH-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 25460390) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID25460390
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Nameethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27NO4S/c1-3-24-18(21)19(14-16-6-7-16)10-12-20(13-11-19)25(22,23)17-8-4-15(2)5-9-17/h4-5,8-9,16H,3,6-7,10-14H2,1-2H3
InChIKeySSLUYTLWLZEYCH-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate (CID 25460390) is ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is SSLUYTLWLZEYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-3-24-18(21)19(14-16-6-7-16)10-12-20(13-11-19)25(22,23)17-8-4-15(2)5-9-17/h4-5,8-9,16H,3,6-7,10-14H2,1-2H3.
What are the key properties of ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate?
ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 25460390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).