2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide

C11H22N2O4S — CID 82180306

IUPAC2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNCCCCS(=O)(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O4S/c12-5-1-2-7-18(15,16)9-11(14)13-8-10-4-3-6-17-10/h10H,1-9,12H2,(H,13,14)
InChIKeyGTHQDTCASMGQCL-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.56
Rot. Bonds8

About 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 82180306) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID82180306
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNCCCCS(=O)(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O4S/c12-5-1-2-7-18(15,16)9-11(14)13-8-10-4-3-6-17-10/h10H,1-9,12H2,(H,13,14)
InChIKeyGTHQDTCASMGQCL-UHFFFAOYSA-N
XLogP-0.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82179993
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide (CID 82180306) is 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide is NCCCCS(=O)(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GTHQDTCASMGQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c12-5-1-2-7-18(15,16)9-11(14)13-8-10-4-3-6-17-10/h10H,1-9,12H2,(H,13,14).
What are the key properties of 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of -0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 82180306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).