N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

C15H31N3O3S — CID 4051964

IUPACN-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(C)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O3S/c1-4-6-10-17(3)13-9-16-15(19)14-7-11-18(12-8-14)22(20,21)5-2/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOMKVOESPJONPBF-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.90
Rot. Bonds9

About N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 4051964) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID4051964
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCCCN(C)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O3S/c1-4-6-10-17(3)13-9-16-15(19)14-7-11-18(12-8-14)22(20,21)5-2/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOMKVOESPJONPBF-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide 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-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 4051964) is N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCCCN(C)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is OMKVOESPJONPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-4-6-10-17(3)13-9-16-15(19)14-7-11-18(12-8-14)22(20,21)5-2/h14H,4-13H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4051964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).