N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

C16H30N2O2S — CID 100651761

IUPACN-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)SCCNC(=O)N1CCC([C@@H]2CCCO2)CC1
InChIInChI=1S/C16H30N2O2S/c1-16(2,3)21-12-8-17-15(19)18-9-6-13(7-10-18)14-5-4-11-20-14/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyDMTLKAZPBQGXMJ-AWEZNQCLSA-N
MW314.50 g/mol
LogP3.12
Rot. Bonds4

About N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 100651761) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID100651761
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)SCCNC(=O)N1CCC([C@@H]2CCCO2)CC1
InChIInChI=1S/C16H30N2O2S/c1-16(2,3)21-12-8-17-15(19)18-9-6-13(7-10-18)14-5-4-11-20-14/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyDMTLKAZPBQGXMJ-AWEZNQCLSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (CID 100651761) is N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is CC(C)(C)SCCNC(=O)N1CCC([C@@H]2CCCO2)CC1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is DMTLKAZPBQGXMJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-16(2,3)21-12-8-17-15(19)18-9-6-13(7-10-18)14-5-4-11-20-14/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 314.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 100651761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).