5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide

C14H26N2O4S — CID 82940349

IUPAC5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C14H26N2O4S/c1-4-9-19-10-5-8-16-21(17,18)14-7-6-13(20-14)11-15-12(2)3/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyVSRDKFCMECJWCM-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.87
Rot. Bonds11

About 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide

5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide (PubChem CID 82940349) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
PubChem CID82940349
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C14H26N2O4S/c1-4-9-19-10-5-8-16-21(17,18)14-7-6-13(20-14)11-15-12(2)3/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyVSRDKFCMECJWCM-UHFFFAOYSA-N
XLogP1.87
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 106177078
5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide (CID 82940349) is 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide is CCCOCCCNS(=O)(=O)c1ccc(CNC(C)C)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide?
The InChIKey is VSRDKFCMECJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-9-19-10-5-8-16-21(17,18)14-7-6-13(20-14)11-15-12(2)3/h6-7,12,15-16H,4-5,8-11H2,1-3H3.
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 1.87, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide is sourced from PubChem (CID 82940349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).