5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide

C14H22N2O4S — CID 106137735

IUPAC5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H22N2O4S/c17-12-4-1-10(7-12)8-16-21(18,19)14-6-5-13(20-14)9-15-11-2-3-11/h5-6,10-12,15-17H,1-4,7-9H2
InChIKeyBILMNAFHLNKFAW-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.97
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide (PubChem CID 106137735) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
PubChem CID106137735
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H22N2O4S/c17-12-4-1-10(7-12)8-16-21(18,19)14-6-5-13(20-14)9-15-11-2-3-11/h5-6,10-12,15-17H,1-4,7-9H2
InChIKeyBILMNAFHLNKFAW-UHFFFAOYSA-N
XLogP0.97
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclobutyl)methyl]furan-2-sulfonamide
CID 66007251
5-formyl-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 114148606
5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
CID 107323800
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
N-(1-cyclopentylethyl)-5-[(cyclopropylamino)methyl]furan-2-sulfonamide
CID 106066048
3-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270923
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide (CID 106137735) is 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide is O=S(=O)(NCC1CCC(O)C1)c1ccc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide?
The InChIKey is BILMNAFHLNKFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c17-12-4-1-10(7-12)8-16-21(18,19)14-6-5-13(20-14)9-15-11-2-3-11/h5-6,10-12,15-17H,1-4,7-9H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 106137735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).