N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C14H29ClN2OS — CID 119790992

IUPACN-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-11(12-6-5-7-15-9-12)8-13(17)16-10-14(2,3)18-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H
InChIKeyASJOKEBPPNTIBI-UHFFFAOYSA-N
MW308.92 g/mol
LogP2.69
Rot. Bonds6

About N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119790992) has the molecular formula C14H29ClN2OS and a molecular weight of 308.92 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119790992
Molecular FormulaC14H29ClN2OS
Molecular Weight308.92 g/mol
Exact Mass308.17
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/c1-11(12-6-5-7-15-9-12)8-13(17)16-10-14(2,3)18-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H
InChIKeyASJOKEBPPNTIBI-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.92
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride 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

N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(2-methyl-2-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119830210
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119790992) is N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is CSC(C)(C)CNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ASJOKEBPPNTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS.ClH/c1-11(12-6-5-7-15-9-12)8-13(17)16-10-14(2,3)18-4;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 308.92 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119790992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).