N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide

C21H42N2OS — CID 126761811

IUPACN-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCNC1)C1CCC(CS(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H42N2OS/c1-7-23(20(24)18-9-8-14-22-15-18)19-12-10-17(11-13-19)16-25(5,6)21(2,3)4/h17-19,22H,7-16H2,1-6H3
InChIKeyLXSWJXGNGDGCRS-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.26
Rot. Bonds5

About N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide

N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 126761811) has the molecular formula C21H42N2OS and a molecular weight of 370.65 g/mol. Its IUPAC name is N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide
PubChem CID126761811
Molecular FormulaC21H42N2OS
Molecular Weight370.65 g/mol
Exact Mass370.30
IUPAC NameN-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCNC1)C1CCC(CS(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H42N2OS/c1-7-23(20(24)18-9-8-14-22-15-18)19-12-10-17(11-13-19)16-25(5,6)21(2,3)4/h17-19,22H,7-16H2,1-6H3
InChIKeyLXSWJXGNGDGCRS-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide (CID 126761811) is N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide is CCN(C(=O)C1CCCNC1)C1CCC(CS(C)(C)C(C)(C)C)CC1.
What is the InChIKey of N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is LXSWJXGNGDGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2OS/c1-7-23(20(24)18-9-8-14-22-15-18)19-12-10-17(11-13-19)16-25(5,6)21(2,3)4/h17-19,22H,7-16H2,1-6H3.
What are the key properties of N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide?
N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 370.65 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 126761811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).