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

C13H27N3O4S — CID 56797554

IUPAC4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C13H27N3O4S/c1-3-7-16(8-4-2)21(18,19)15-11-13(12(14)17)5-9-20-10-6-13/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeySDILEXWDJWRLJP-UHFFFAOYSA-N
MW321.44 g/mol
LogP0.22
Rot. Bonds9

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

4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide (PubChem CID 56797554) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
PubChem CID56797554
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C13H27N3O4S/c1-3-7-16(8-4-2)21(18,19)15-11-13(12(14)17)5-9-20-10-6-13/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeySDILEXWDJWRLJP-UHFFFAOYSA-N
XLogP0.22
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]oxane-4-carboxamide
CID 56797555
1-amino-1-[(dipropylsulfamoylamino)methyl]cyclobutane
CID 113411794
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
CID 115709382
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
4-(3-oxobutyl)oxane-4-carboxamide
CID 143045397
1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245
4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133314301
4-[(cyclopropylmethylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438630
2-[ethylsulfamoyl(propyl)amino]ethanethioamide
CID 114808251
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide?
The IUPAC name of 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide (CID 56797554) is 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide is CCCN(CCC)S(=O)(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide?
The InChIKey is SDILEXWDJWRLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-3-7-16(8-4-2)21(18,19)15-11-13(12(14)17)5-9-20-10-6-13/h15H,3-11H2,1-2H3,(H2,14,17).
What are the key properties of 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide?
4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylsulfamoylamino)methyl]oxane-4-carboxamide is sourced from PubChem (CID 56797554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).