2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C15H28N2O3S — CID 106079485

IUPAC2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)oc1C
InChIInChI=1S/C15H28N2O3S/c1-7-8-15(5,6)17-21(18,19)14-9-13(20-12(14)4)10-16-11(2)3/h9,11,16-17H,7-8,10H2,1-6H3
InChIKeyDCHUAAFJNBUYHB-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.94
Rot. Bonds8

About 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106079485) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106079485
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)oc1C
InChIInChI=1S/C15H28N2O3S/c1-7-8-15(5,6)17-21(18,19)14-9-13(20-12(14)4)10-16-11(2)3/h9,11,16-17H,7-8,10H2,1-6H3
InChIKeyDCHUAAFJNBUYHB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 103465979
2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106030088
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106079485) is 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(CNC(C)C)oc1C.
What is the InChIKey of 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is DCHUAAFJNBUYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-7-8-15(5,6)17-21(18,19)14-9-13(20-12(14)4)10-16-11(2)3/h9,11,16-17H,7-8,10H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106079485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).