5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

C11H18N2O3S2 — CID 82746163

IUPAC5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCOC2)sc1CN
InChIInChI=1S/C11H18N2O3S2/c1-8-5-11(17-10(8)6-12)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7,12H2,1-2H3
InChIKeyRGUDQXVKWXNFGL-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.92
Rot. Bonds4

About 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 82746163) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
PubChem CID82746163
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCOC2)sc1CN
InChIInChI=1S/C11H18N2O3S2/c1-8-5-11(17-10(8)6-12)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7,12H2,1-2H3
InChIKeyRGUDQXVKWXNFGL-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (CID 82746163) is 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCOC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is RGUDQXVKWXNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8-5-11(17-10(8)6-12)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 82746163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).