[5-(pentylsulfonylmethyl)furan-2-yl]methanamine

C11H19NO3S — CID 107758648

IUPAC[5-(pentylsulfonylmethyl)furan-2-yl]methanamine
SMILESCCCCCS(=O)(=O)Cc1ccc(CN)o1
InChIInChI=1S/C11H19NO3S/c1-2-3-4-7-16(13,14)9-11-6-5-10(8-12)15-11/h5-6H,2-4,7-9,12H2,1H3
InChIKeyUWQWYMIFQUUDJN-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.84
Rot. Bonds7

About [5-(pentylsulfonylmethyl)furan-2-yl]methanamine

[5-(pentylsulfonylmethyl)furan-2-yl]methanamine (PubChem CID 107758648) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is [5-(pentylsulfonylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(pentylsulfonylmethyl)furan-2-yl]methanamine
PubChem CID107758648
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name[5-(pentylsulfonylmethyl)furan-2-yl]methanamine
SMILESCCCCCS(=O)(=O)Cc1ccc(CN)o1
InChIInChI=1S/C11H19NO3S/c1-2-3-4-7-16(13,14)9-11-6-5-10(8-12)15-11/h5-6H,2-4,7-9,12H2,1H3
InChIKeyUWQWYMIFQUUDJN-UHFFFAOYSA-N
XLogP1.84
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-Methyl-2-furyl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3652335
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
5-Methyl-2-furylmethylamine
CID 2724683
Benzenesulfonamide, N-furfuryl-4-methylthio-
CID 566019
(5-Methanesulfonylfuran-2-yl)methanamine hydrochloride
CID 122163431
[5-(Methylsulfanyl)furan-2-yl]methanamine hydrochloride
CID 132372877
Propane-1-sulfonic acid (furan-2-ylmethyl)-amide
CID 2445210
N-[(furan-2-yl)methyl]-1,1-dioxo-1lambda6-thiolane-3-sulfonamide
CID 2850965
5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
CID 5003834
(3S)-N-[(5-methylfuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 28332610
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 71997405
1-ethylsulfonyl-N-(furan-2-ylmethyl)propan-2-amine
CID 75371383

Frequently Asked Questions

What is the IUPAC name of [5-(pentylsulfonylmethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(pentylsulfonylmethyl)furan-2-yl]methanamine (CID 107758648) is [5-(pentylsulfonylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(pentylsulfonylmethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(pentylsulfonylmethyl)furan-2-yl]methanamine is CCCCCS(=O)(=O)Cc1ccc(CN)o1.
What is the InChIKey of [5-(pentylsulfonylmethyl)furan-2-yl]methanamine?
The InChIKey is UWQWYMIFQUUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-2-3-4-7-16(13,14)9-11-6-5-10(8-12)15-11/h5-6H,2-4,7-9,12H2,1H3.
What are the key properties of [5-(pentylsulfonylmethyl)furan-2-yl]methanamine?
[5-(pentylsulfonylmethyl)furan-2-yl]methanamine has a molecular weight of 245.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pentylsulfonylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 107758648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).