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'}

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Related Compounds

4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290733
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596637
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
CID 104596304
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651

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).