N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

C11H17N3O3S2 — CID 61105540

IUPACN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-18-10/h4,7-8,13H,2-3,5-6,12H2,1H3
InChIKeyNEWOXAYGLJNLGZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.48
Rot. Bonds3

About N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 61105540) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID61105540
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C11H17N3O3S2/c1-19(16,17)13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-18-10/h4,7-8,13H,2-3,5-6,12H2,1H3
InChIKeyNEWOXAYGLJNLGZ-UHFFFAOYSA-N
XLogP0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 61105540) is N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is NEWOXAYGLJNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-19(16,17)13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-18-10/h4,7-8,13H,2-3,5-6,12H2,1H3.
What are the key properties of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 61105540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).