N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide

C14H24N2O3S — CID 106025005

IUPACN-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCC2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-3-7-15-10-13-8-14(11(2)19-13)20(17,18)16-9-12-5-4-6-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyUZMRWCSUEKRUAH-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.17
Rot. Bonds8

About N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide

N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide (PubChem CID 106025005) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
PubChem CID106025005
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NCC2CCC2)c(C)o1
InChIInChI=1S/C14H24N2O3S/c1-3-7-15-10-13-8-14(11(2)19-13)20(17,18)16-9-12-5-4-6-12/h8,12,15-16H,3-7,9-10H2,1-2H3
InChIKeyUZMRWCSUEKRUAH-UHFFFAOYSA-N
XLogP2.17
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106088321
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
2-methyl-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106062930
2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
CID 106086445
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
N-(3-butoxypropyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106080376

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide (CID 106025005) is N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NCC2CCC2)c(C)o1.
What is the InChIKey of N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide?
The InChIKey is UZMRWCSUEKRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-7-15-10-13-8-14(11(2)19-13)20(17,18)16-9-12-5-4-6-12/h8,12,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide?
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).