N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide

C10H19N3O4S — CID 103617435

IUPACN-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C10H19N3O4S/c1-18(16,17)13-6-2-5-11-10(15)8-3-4-9(14)12-7-8/h8,13H,2-7H2,1H3,(H,11,15)(H,12,14)
InChIKeyWFUPOTUXKJDVAC-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.43
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide

N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 103617435) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID103617435
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C10H19N3O4S/c1-18(16,17)13-6-2-5-11-10(15)8-3-4-9(14)12-7-8/h8,13H,2-7H2,1H3,(H,11,15)(H,12,14)
InChIKeyWFUPOTUXKJDVAC-UHFFFAOYSA-N
XLogP-1.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.43
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

N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[3-(methanesulfonamido)propyl]-6-methylpiperidine-3-carboxamide
CID 106339565
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 73419587
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide (CID 103617435) is N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide is CS(=O)(=O)NCCCNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WFUPOTUXKJDVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-18(16,17)13-6-2-5-11-10(15)8-3-4-9(14)12-7-8/h8,13H,2-7H2,1H3,(H,11,15)(H,12,14).
What are the key properties of N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide?
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of -1.43, 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]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 103617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).