N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide

C14H30N2O2S2 — CID 167837979

IUPACN-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(CCSC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S2/c1-6-20(17,18)15(5)13-7-9-16(10-8-13)11-12-19-14(2,3)4/h13H,6-12H2,1-5H3
InChIKeyXRDSYXWHLLKXOW-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.26
Rot. Bonds6

About N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide

N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide (PubChem CID 167837979) has the molecular formula C14H30N2O2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
PubChem CID167837979
Molecular FormulaC14H30N2O2S2
Molecular Weight322.54 g/mol
Exact Mass322.17
IUPAC NameN-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(CCSC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S2/c1-6-20(17,18)15(5)13-7-9-16(10-8-13)11-12-19-14(2,3)4/h13H,6-12H2,1-5H3
InChIKeyXRDSYXWHLLKXOW-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide (CID 167837979) is N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(CCSC(C)(C)C)CC1.
What is the InChIKey of N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide?
The InChIKey is XRDSYXWHLLKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S2/c1-6-20(17,18)15(5)13-7-9-16(10-8-13)11-12-19-14(2,3)4/h13H,6-12H2,1-5H3.
What are the key properties of N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide?
N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide has a molecular weight of 322.54 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 167837979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).