N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine

C14H25NO3S — CID 107760284

IUPACN-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)CCS(=O)(=O)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C14H25NO3S/c1-11(2)7-8-19(16,17)10-14-6-5-13(18-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyYZWKDISFGXEHBR-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.74
Rot. Bonds8

About N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 107760284) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID107760284
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC NameN-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)CCS(=O)(=O)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C14H25NO3S/c1-11(2)7-8-19(16,17)10-14-6-5-13(18-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyYZWKDISFGXEHBR-UHFFFAOYSA-N
XLogP2.74
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
CID 106495988
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 76943533
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine (CID 107760284) is N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine is CC(C)CCS(=O)(=O)Cc1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is YZWKDISFGXEHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-11(2)7-8-19(16,17)10-14-6-5-13(18-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3.
What are the key properties of N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107760284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).