4-[(butylsulfonylamino)methyl]oxane-4-carboxamide

C11H22N2O4S — CID 47372219

IUPAC4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
SMILESCCCCS(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C11H22N2O4S/c1-2-3-8-18(15,16)13-9-11(10(12)14)4-6-17-7-5-11/h13H,2-9H2,1H3,(H2,12,14)
InChIKeyYMXRRNJCNOVVSQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.01
Rot. Bonds7

About 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide

4-[(butylsulfonylamino)methyl]oxane-4-carboxamide (PubChem CID 47372219) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
PubChem CID47372219
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
SMILESCCCCS(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C11H22N2O4S/c1-2-3-8-18(15,16)13-9-11(10(12)14)4-6-17-7-5-11/h13H,2-9H2,1H3,(H2,12,14)
InChIKeyYMXRRNJCNOVVSQ-UHFFFAOYSA-N
XLogP-0.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
CID 56797554
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
CID 115709382
4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
CID 56797555
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
CID 110440592
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
4-[(cyclopropylmethylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438630
4-amino-N-propylsulfonyloxane-4-carboxamide
CID 103307647
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223

Frequently Asked Questions

What is the IUPAC name of 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide?
The IUPAC name of 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide (CID 47372219) is 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide is CCCCS(=O)(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide?
The InChIKey is YMXRRNJCNOVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-2-3-8-18(15,16)13-9-11(10(12)14)4-6-17-7-5-11/h13H,2-9H2,1H3,(H2,12,14).
What are the key properties of 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide?
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butylsulfonylamino)methyl]oxane-4-carboxamide is sourced from PubChem (CID 47372219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).