5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide

C13H22N2O4S — CID 106124948

IUPAC5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C13H22N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h6-7,10-11,14-16H,2-5,8-9H2,1H3
InChIKeyXWHPIYDFDNBLAK-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.83
Rot. Bonds6

About 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide

5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide (PubChem CID 106124948) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
PubChem CID106124948
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C13H22N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h6-7,10-11,14-16H,2-5,8-9H2,1H3
InChIKeyXWHPIYDFDNBLAK-UHFFFAOYSA-N
XLogP0.83
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106126527
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106125741
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 106137735
5-(chloromethyl)-N-methylfuran-2-sulfonamide
CID 6422154
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
3-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270923
5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclobutyl)methyl]furan-2-sulfonamide
CID 66007251

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide (CID 106124948) is 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CNCC2CCC(O)CC2)o1.
What is the InChIKey of 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
The InChIKey is XWHPIYDFDNBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-14-20(17,18)13-7-6-12(19-13)9-15-8-10-2-4-11(16)5-3-10/h6-7,10-11,14-16H,2-5,8-9H2,1H3.
What are the key properties of 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide?
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 106124948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).