N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide

C12H22N2O2S2 — CID 125448379

IUPACN-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide
SMILESCCC[C@H](CNS(=O)(=O)c1cc(C)cs1)N(C)C
InChIInChI=1S/C12H22N2O2S2/c1-5-6-11(14(3)4)8-13-18(15,16)12-7-10(2)9-17-12/h7,9,11,13H,5-6,8H2,1-4H3/t11-/m1/s1
InChIKeyUISYWQIUMRUIJG-LLVKDONJSA-N
MW290.45 g/mol
LogP2.07
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide

N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide (PubChem CID 125448379) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide
PubChem CID125448379
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC NameN-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide
SMILESCCC[C@H](CNS(=O)(=O)c1cc(C)cs1)N(C)C
InChIInChI=1S/C12H22N2O2S2/c1-5-6-11(14(3)4)8-13-18(15,16)12-7-10(2)9-17-12/h7,9,11,13H,5-6,8H2,1-4H3/t11-/m1/s1
InChIKeyUISYWQIUMRUIJG-LLVKDONJSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(thiophene-2-sulfonyl)piperidin-3-amine hydrochloride
CID 119031353
N-((1-cyclopentylpiperidin-4-yl)methyl)thiophene-2-sulfonamide
CID 16887684
N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887424
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
CID 164634958
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
CID 120778754
N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide
CID 146122494
N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide
CID 2317320
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
CID 2317329
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 2317331
N-[1-[cyclohexyl(methyl)amino]-2-methylpropan-2-yl]thiophene-2-sulfonamide
CID 2317335
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 2317337
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)thiophene-2-sulfonamide;hydrochloride
CID 16236920

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide (CID 125448379) is N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide is CCC[C@H](CNS(=O)(=O)c1cc(C)cs1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is UISYWQIUMRUIJG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-5-6-11(14(3)4)8-13-18(15,16)12-7-10(2)9-17-12/h7,9,11,13H,5-6,8H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide?
N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)pentyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 125448379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).