4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide

C12H20N2O2S2 — CID 99777149

IUPAC4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCCCN2)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-12(17-10(9)2)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyAQCHEWDPTBCBDV-LLVKDONJSA-N
MW288.44 g/mol
LogP1.79
Rot. Bonds4

About 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide

4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 99777149) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID99777149
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCCCN2)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-12(17-10(9)2)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyAQCHEWDPTBCBDV-LLVKDONJSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide (CID 99777149) is 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC[C@H]2CCCCN2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is AQCHEWDPTBCBDV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-7-12(17-10(9)2)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide?
4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99777149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).