N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine

C14H25NO3S — CID 103902199

IUPACN-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3S/c1-12(7-8-13-6-5-10-18-13)15-9-11-19(16,17)14(2,3)4/h5-6,10,12,15H,7-9,11H2,1-4H3
InChIKeyMYOSOTIDHQYNNW-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.40
Rot. Bonds7

About N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine

N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine (PubChem CID 103902199) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
PubChem CID103902199
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC NameN-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3S/c1-12(7-8-13-6-5-10-18-13)15-9-11-19(16,17)14(2,3)4/h5-6,10,12,15H,7-9,11H2,1-4H3
InChIKeyMYOSOTIDHQYNNW-UHFFFAOYSA-N
XLogP2.40
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
CID 61221200

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine (CID 103902199) is N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is MYOSOTIDHQYNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-12(7-8-13-6-5-10-18-13)15-9-11-19(16,17)14(2,3)4/h5-6,10,12,15H,7-9,11H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine?
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 287.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 103902199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).