[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol

C12H19NO2S — CID 115882955

IUPAC[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol
SMILESCN(Cc1ccco1)C1(CO)CCSCC1
InChIInChI=1S/C12H19NO2S/c1-13(9-11-3-2-6-15-11)12(10-14)4-7-16-8-5-12/h2-3,6,14H,4-5,7-10H2,1H3
InChIKeyBXHMHWAEFHCQPU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.97
Rot. Bonds4

About [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol

[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol (PubChem CID 115882955) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol.

Molecular Properties

Compound Name[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol
PubChem CID115882955
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol
SMILESCN(Cc1ccco1)C1(CO)CCSCC1
InChIInChI=1S/C12H19NO2S/c1-13(9-11-3-2-6-15-11)12(10-14)4-7-16-8-5-12/h2-3,6,14H,4-5,7-10H2,1H3
InChIKeyBXHMHWAEFHCQPU-UHFFFAOYSA-N
XLogP1.97
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163076
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948920
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658

Frequently Asked Questions

What is the IUPAC name of [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol?
The IUPAC name of [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol (CID 115882955) is [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol.
What is the SMILES notation for [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol?
The canonical SMILES for [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol is CN(Cc1ccco1)C1(CO)CCSCC1.
What is the InChIKey of [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol?
The InChIKey is BXHMHWAEFHCQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-13(9-11-3-2-6-15-11)12(10-14)4-7-16-8-5-12/h2-3,6,14H,4-5,7-10H2,1H3.
What are the key properties of [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol?
[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol is sourced from PubChem (CID 115882955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).