[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol

C10H17NO4S — CID 64631010

IUPAC[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
SMILESCC(CS(C)(=O)=O)NCc1ccc(CO)o1
InChIInChI=1S/C10H17NO4S/c1-8(7-16(2,13)14)11-5-9-3-4-10(6-12)15-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyZOZSHBYMXZGZSC-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.29
Rot. Bonds6

About [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol

[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol (PubChem CID 64631010) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
PubChem CID64631010
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
SMILESCC(CS(C)(=O)=O)NCc1ccc(CO)o1
InChIInChI=1S/C10H17NO4S/c1-8(7-16(2,13)14)11-5-9-3-4-10(6-12)15-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyZOZSHBYMXZGZSC-UHFFFAOYSA-N
XLogP0.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608992
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
CID 103699286
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97053957
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794

Frequently Asked Questions

What is the IUPAC name of [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol (CID 64631010) is [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol is CC(CS(C)(=O)=O)NCc1ccc(CO)o1.
What is the InChIKey of [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol?
The InChIKey is ZOZSHBYMXZGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-8(7-16(2,13)14)11-5-9-3-4-10(6-12)15-9/h3-4,8,11-12H,5-7H2,1-2H3.
What are the key properties of [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol?
[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol has a molecular weight of 247.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).