5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide

C13H22N2O3S — CID 81384910

IUPAC5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)o1)C1CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(18-12)19(14,16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyWHYDQRXWHMTOCS-SNVBAGLBSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds5

About 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide

5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide (PubChem CID 81384910) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
PubChem CID81384910
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)o1)C1CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(18-12)19(14,16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyWHYDQRXWHMTOCS-SNVBAGLBSA-N
XLogP1.99
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81386114
N,N-dimethyl-5-[[1-(oxan-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 103914756
N-(1-cyclopentylethyl)-5-[(cyclopropylamino)methyl]furan-2-sulfonamide
CID 106066048
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
3-chloro-2-[(1-cyclohexylethylamino)methyl]phenol
CID 79032182
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
CID 126824589
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686
5-[(hex-1-yn-3-ylamino)methyl]furan-2-sulfonamide
CID 114160925
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide (CID 81384910) is 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide is C[C@@H](NCc1ccc(S(N)(=O)=O)o1)C1CCCCC1.
What is the InChIKey of 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is WHYDQRXWHMTOCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(18-12)19(14,16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide?
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 81384910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).