4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide

C12H21N3O2S2 — CID 61298605

IUPAC4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-15-6-4-11(5-7-15)14(2)19(16,17)12-8-10(13)9-18-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyMKSBOCRVVRUXND-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide

4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 61298605) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
PubChem CID61298605
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-15-6-4-11(5-7-15)14(2)19(16,17)12-8-10(13)9-18-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyMKSBOCRVVRUXND-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide (CID 61298605) is 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is MKSBOCRVVRUXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-15-6-4-11(5-7-15)14(2)19(16,17)12-8-10(13)9-18-12/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61298605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).