N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide

C15H25N3O2S2 — CID 119930328

IUPACN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCNCC2)CC1)c1cccs1
InChIInChI=1S/C15H25N3O2S2/c19-22(20,15-2-1-11-21-15)17-14-5-9-18(10-6-14)12-13-3-7-16-8-4-13/h1-2,11,13-14,16-17H,3-10,12H2
InChIKeyNRWDAWYSNFFIEW-UHFFFAOYSA-N
MW343.52 g/mol
LogP1.49
Rot. Bonds5

About N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 119930328) has the molecular formula C15H25N3O2S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID119930328
Molecular FormulaC15H25N3O2S2
Molecular Weight343.52 g/mol
Exact Mass343.14
IUPAC NameN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CC2CCNCC2)CC1)c1cccs1
InChIInChI=1S/C15H25N3O2S2/c19-22(20,15-2-1-11-21-15)17-14-5-9-18(10-6-14)12-13-3-7-16-8-4-13/h1-2,11,13-14,16-17H,3-10,12H2
InChIKeyNRWDAWYSNFFIEW-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 119930328) is N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CC2CCNCC2)CC1)c1cccs1.
What is the InChIKey of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is NRWDAWYSNFFIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S2/c19-22(20,15-2-1-11-21-15)17-14-5-9-18(10-6-14)12-13-3-7-16-8-4-13/h1-2,11,13-14,16-17H,3-10,12H2.
What are the key properties of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 343.52 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119930328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).