N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide

C11H23N3O3S — CID 70047808

IUPACN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)13-7-3-2-6-10(12)11(15)14-8-4-5-9-14/h10,13H,2-9,12H2,1H3
InChIKeyZYWZXHPPENLNGZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.34
Rot. Bonds7

About N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide

N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide (PubChem CID 70047808) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
PubChem CID70047808
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)13-7-3-2-6-10(12)11(15)14-8-4-5-9-14/h10,13H,2-9,12H2,1H3
InChIKeyZYWZXHPPENLNGZ-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-amino-1-(pyrrolidin-1-yl)hexan-1-one
CID 44560851
2-Amino-1-pyrrolidin-1-ylhexan-1-one
CID 44270905
(2S)-1-acetyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]pyrrolidine-2-carboxamide
CID 53500657
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide
CID 72743644
N-[1-(cyclopentylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
CID 53016569
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 53499006
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 121561913
(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
CID 118349047
N-[1-oxo-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]methanesulfonamide
CID 138016808
N-cyclohexyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45804190
n-Cyclopentyl-1-(methylsulfonyl)piperidine-2-carboxamide
CID 47021317
N-cyclohexyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51075367

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide?
The IUPAC name of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide (CID 70047808) is N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide?
The canonical SMILES for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide is CS(=O)(=O)NCCCCC(N)C(=O)N1CCCC1.
What is the InChIKey of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide?
The InChIKey is ZYWZXHPPENLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18(16,17)13-7-3-2-6-10(12)11(15)14-8-4-5-9-14/h10,13H,2-9,12H2,1H3.
What are the key properties of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide?
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide is sourced from PubChem (CID 70047808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).