2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide

C15H21N3O2S2 — CID 124514744

IUPAC2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN[C@H](C)c2ccccn2)c(C)s1
InChIInChI=1S/C15H21N3O2S2/c1-11-10-15(13(3)21-11)22(19,20)18-9-8-16-12(2)14-6-4-5-7-17-14/h4-7,10,12,16,18H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyNAMYHRKAINDFPS-GFCCVEGCSA-N
MW339.49 g/mol
LogP2.39
Rot. Bonds7

About 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide (PubChem CID 124514744) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
PubChem CID124514744
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN[C@H](C)c2ccccn2)c(C)s1
InChIInChI=1S/C15H21N3O2S2/c1-11-10-15(13(3)21-11)22(19,20)18-9-8-16-12(2)14-6-4-5-7-17-14/h4-7,10,12,16,18H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyNAMYHRKAINDFPS-GFCCVEGCSA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
CID 99852270
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
CID 75515433
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
N-ethyl-2-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 43524451
2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
CID 87032970
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
2,5-dimethyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-3-sulfonamide
CID 133387842
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
CID 38256658
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide (CID 124514744) is 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCN[C@H](C)c2ccccn2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide?
The InChIKey is NAMYHRKAINDFPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11-10-15(13(3)21-11)22(19,20)18-9-8-16-12(2)14-6-4-5-7-17-14/h4-7,10,12,16,18H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 124514744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).