2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

C14H30N2O2S — CID 106728026

IUPAC2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)C(C)(C)C)CC1CCNCC1
InChIInChI=1S/C14H30N2O2S/c1-5-16(12-13-6-8-15-9-7-13)10-11-19(17,18)14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyNTUGLEALZIPJMF-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 106728026) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID106728026
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)C(C)(C)C)CC1CCNCC1
InChIInChI=1S/C14H30N2O2S/c1-5-16(12-13-6-8-15-9-7-13)10-11-19(17,18)14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyNTUGLEALZIPJMF-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide
CID 79717457
N-(2-tert-butylsulfonylethyl)-N-ethylpyrrolidin-3-amine
CID 106727947
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (CID 106728026) is 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is CCN(CCS(=O)(=O)C(C)(C)C)CC1CCNCC1.
What is the InChIKey of 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is NTUGLEALZIPJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-16(12-13-6-8-15-9-7-13)10-11-19(17,18)14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 106728026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).