N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide

C14H24N2O4S — CID 103914756

IUPACN,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(=O)(=O)N(C)C)o1)C1CCOCC1
InChIInChI=1S/C14H24N2O4S/c1-11(12-6-8-19-9-7-12)15-10-13-4-5-14(20-13)21(17,18)16(2)3/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyNIMQPUAJUXBJNQ-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.43
Rot. Bonds6

About N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide

N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide (PubChem CID 103914756) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
PubChem CID103914756
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(=O)(=O)N(C)C)o1)C1CCOCC1
InChIInChI=1S/C14H24N2O4S/c1-11(12-6-8-19-9-7-12)15-10-13-4-5-14(20-13)21(17,18)16(2)3/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyNIMQPUAJUXBJNQ-UHFFFAOYSA-N
XLogP1.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
N,N-dimethyl-5-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106281628
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
N,N-dimethyl-5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-sulfonamide
CID 106040255
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 81042035
(1S)-1-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81386114
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 63905160
N-[(2-chloro-5-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768954
3-chloro-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103768982
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide (CID 103914756) is N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide is CC(NCc1ccc(S(=O)(=O)N(C)C)o1)C1CCOCC1.
What is the InChIKey of N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide?
The InChIKey is NIMQPUAJUXBJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(12-6-8-19-9-7-12)15-10-13-4-5-14(20-13)21(17,18)16(2)3/h4-5,11-12,15H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 103914756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).