N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide

C10H18N2O3S — CID 47959057

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H18N2O3S/c1-4-5-6-16(13,14)11-7-10-8(2)12-15-9(10)3/h11H,4-7H2,1-3H3
InChIKeyJCHKDNVLBPPILK-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.51
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide (PubChem CID 47959057) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
PubChem CID47959057
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1c(C)noc1C
InChIInChI=1S/C10H18N2O3S/c1-4-5-6-16(13,14)11-7-10-8(2)12-15-9(10)3/h11H,4-7H2,1-3H3
InChIKeyJCHKDNVLBPPILK-UHFFFAOYSA-N
XLogP1.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide (CID 47959057) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide?
The InChIKey is JCHKDNVLBPPILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-4-5-6-16(13,14)11-7-10-8(2)12-15-9(10)3/h11H,4-7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 47959057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).