1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine

C12H21NO3S — CID 105113102

IUPAC1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCNC(CCCS(C)(=O)=O)CCc1ccco1
InChIInChI=1S/C12H21NO3S/c1-13-11(5-4-10-17(2,14)15)7-8-12-6-3-9-16-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeyCVTVWHJUIPVHPJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.62
Rot. Bonds8

About 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine

1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine (PubChem CID 105113102) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
PubChem CID105113102
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCNC(CCCS(C)(=O)=O)CCc1ccco1
InChIInChI=1S/C12H21NO3S/c1-13-11(5-4-10-17(2,14)15)7-8-12-6-3-9-16-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeyCVTVWHJUIPVHPJ-UHFFFAOYSA-N
XLogP1.62
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine
CID 114193094
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
2-(3-methylsulfonylpropylsulfanylmethyl)furan
CID 71930272
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine (CID 105113102) is 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine is CNC(CCCS(C)(=O)=O)CCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine?
The InChIKey is CVTVWHJUIPVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-13-11(5-4-10-17(2,14)15)7-8-12-6-3-9-16-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine?
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine has a molecular weight of 259.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 105113102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).