N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide

C11H23N3O3S — CID 113368586

IUPACN-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCCCNS(C)(=O)=O)CCCCN1
InChIInChI=1S/C11H23N3O3S/c1-11(6-3-4-8-13-11)10(15)12-7-5-9-14-18(2,16)17/h13-14H,3-9H2,1-2H3,(H,12,15)
InChIKeyYRLLTFVUHURLJF-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.43
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide

N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide (PubChem CID 113368586) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
PubChem CID113368586
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCCCNS(C)(=O)=O)CCCCN1
InChIInChI=1S/C11H23N3O3S/c1-11(6-3-4-8-13-11)10(15)12-7-5-9-14-18(2,16)17/h13-14H,3-9H2,1-2H3,(H,12,15)
InChIKeyYRLLTFVUHURLJF-UHFFFAOYSA-N
XLogP-0.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-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-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide (CID 113368586) is N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide is CC1(C(=O)NCCCNS(C)(=O)=O)CCCCN1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is YRLLTFVUHURLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(6-3-4-8-13-11)10(15)12-7-5-9-14-18(2,16)17/h13-14H,3-9H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide?
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 113368586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).