2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide

C19H35N3O3S — CID 48956253

IUPAC2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O3S/c1-2-26(24,25)21-13-10-17(11-14-21)20-19(23)22-12-6-9-18(22)15-16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyBLHJKLVMUMLBIS-UHFFFAOYSA-N
MW385.57 g/mol
LogP2.94
Rot. Bonds5

About 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide

2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 48956253) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID48956253
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC2CCCCC2)CC1
InChIInChI=1S/C19H35N3O3S/c1-2-26(24,25)21-13-10-17(11-14-21)20-19(23)22-12-6-9-18(22)15-16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyBLHJKLVMUMLBIS-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 48956253) is 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC2CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is BLHJKLVMUMLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-2-26(24,25)21-13-10-17(11-14-21)20-19(23)22-12-6-9-18(22)15-16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 48956253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).