methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate

C11H22N2O4S — CID 43423056

IUPACmethyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-11(14)7-3-2-4-8-12-18(15,16)13-9-5-6-10-13/h12H,2-10H2,1H3
InChIKeyMGYDWEKMKBDMOA-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.65
Rot. Bonds8

About methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate

methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate (PubChem CID 43423056) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
PubChem CID43423056
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-11(14)7-3-2-4-8-12-18(15,16)13-9-5-6-10-13/h12H,2-10H2,1H3
InChIKeyMGYDWEKMKBDMOA-UHFFFAOYSA-N
XLogP0.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate?
The IUPAC name of methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate (CID 43423056) is methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate.
What is the SMILES notation for methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate?
The canonical SMILES for methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate is COC(=O)CCCCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate?
The InChIKey is MGYDWEKMKBDMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-11(14)7-3-2-4-8-12-18(15,16)13-9-5-6-10-13/h12H,2-10H2,1H3.
What are the key properties of methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate?
methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate has a molecular weight of 278.37 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate is sourced from PubChem (CID 43423056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).