4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide

C13H22N2O4S — CID 106092832

IUPAC4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCC2CCOC2)c1CN
InChIInChI=1S/C13H22N2O4S/c1-9-12(7-14)13(10(2)19-9)20(16,17)15-5-3-11-4-6-18-8-11/h11,15H,3-8,14H2,1-2H3
InChIKeyGHOTVKISEWVVCF-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.06
Rot. Bonds6

About 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide

4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide (PubChem CID 106092832) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
PubChem CID106092832
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCC2CCOC2)c1CN
InChIInChI=1S/C13H22N2O4S/c1-9-12(7-14)13(10(2)19-9)20(16,17)15-5-3-11-4-6-18-8-11/h11,15H,3-8,14H2,1-2H3
InChIKeyGHOTVKISEWVVCF-UHFFFAOYSA-N
XLogP1.06
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106064030
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
CID 114141965
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106075114
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
4-hydrazinyl-N-[2-(oxolan-3-yl)ethyl]pyridine-3-sulfonamide
CID 114130695

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide (CID 106092832) is 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NCCC2CCOC2)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
The InChIKey is GHOTVKISEWVVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9-12(7-14)13(10(2)19-9)20(16,17)15-5-3-11-4-6-18-8-11/h11,15H,3-8,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106092832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).