4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide

C14H24N2O4S — CID 106075114

IUPAC4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NC2CCOC(C)(C)C2)c1CN
InChIInChI=1S/C14H24N2O4S/c1-9-12(8-15)13(10(2)20-9)21(17,18)16-11-5-6-19-14(3,4)7-11/h11,16H,5-8,15H2,1-4H3
InChIKeyPNZJUZFPMQHGFJ-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.59
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide

4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106075114) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106075114
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NC2CCOC(C)(C)C2)c1CN
InChIInChI=1S/C14H24N2O4S/c1-9-12(8-15)13(10(2)20-9)21(17,18)16-11-5-6-19-14(3,4)7-11/h11,16H,5-8,15H2,1-4H3
InChIKeyPNZJUZFPMQHGFJ-UHFFFAOYSA-N
XLogP1.59
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1,1-dioxothian-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106065911
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83036036
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide (CID 106075114) is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NC2CCOC(C)(C)C2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is PNZJUZFPMQHGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-9-12(8-15)13(10(2)20-9)21(17,18)16-11-5-6-19-14(3,4)7-11/h11,16H,5-8,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide?
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106075114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).