N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide

C12H21N3O2S2 — CID 164634958

IUPACN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1
InChIInChI=1S/C12H21N3O2S2/c1-10-6-12(18-9-10)19(16,17)13-7-11-8-14(2)4-5-15(11)3/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyAFHYEVOVANRKRI-NSHDSACASA-N
MW303.45 g/mol
LogP0.58
Rot. Bonds4

About N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide

N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 164634958) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
PubChem CID164634958
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1
InChIInChI=1S/C12H21N3O2S2/c1-10-6-12(18-9-10)19(16,17)13-7-11-8-14(2)4-5-15(11)3/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyAFHYEVOVANRKRI-NSHDSACASA-N
XLogP0.58
TPSA52.65 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide (CID 164634958) is N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide is Cc1csc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c1.
What is the InChIKey of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is AFHYEVOVANRKRI-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-10-6-12(18-9-10)19(16,17)13-7-11-8-14(2)4-5-15(11)3/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide?
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 164634958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).