N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C15H28N2O3S — CID 103465979

IUPACN-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)oc1C
InChIInChI=1S/C15H28N2O3S/c1-7-15(5,6)10-17-21(18,19)14-8-13(20-12(14)4)9-16-11(2)3/h8,11,16-17H,7,9-10H2,1-6H3
InChIKeyBUNBVNJXKMZLKO-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.80
Rot. Bonds8

About N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 103465979) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID103465979
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)oc1C
InChIInChI=1S/C15H28N2O3S/c1-7-15(5,6)10-17-21(18,19)14-8-13(20-12(14)4)9-16-11(2)3/h8,11,16-17H,7,9-10H2,1-6H3
InChIKeyBUNBVNJXKMZLKO-UHFFFAOYSA-N
XLogP2.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106079485
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106030088
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 103465979) is N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(CNC(C)C)oc1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is BUNBVNJXKMZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-7-15(5,6)10-17-21(18,19)14-8-13(20-12(14)4)9-16-11(2)3/h8,11,16-17H,7,9-10H2,1-6H3.
What are the key properties of N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 103465979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).