2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide

C14H22N4O2S2 — CID 99852270

IUPAC2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN[C@H](C)c2cn[nH]c2C)c(C)s1
InChIInChI=1S/C14H22N4O2S2/c1-9-7-14(12(4)21-9)22(19,20)17-6-5-15-10(2)13-8-16-18-11(13)3/h7-8,10,15,17H,5-6H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyWDHWNFSYITYKNM-SNVBAGLBSA-N
MW342.49 g/mol
LogP2.03
Rot. Bonds7

About 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide (PubChem CID 99852270) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
PubChem CID99852270
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC Name2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN[C@H](C)c2cn[nH]c2C)c(C)s1
InChIInChI=1S/C14H22N4O2S2/c1-9-7-14(12(4)21-9)22(19,20)17-6-5-15-10(2)13-8-16-18-11(13)3/h7-8,10,15,17H,5-6H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyWDHWNFSYITYKNM-SNVBAGLBSA-N
XLogP2.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.03
H-Bond Donors ≤ 53
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-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
CID 75515433
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
CID 124514744
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62038123
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
CID 38256658
1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43737489
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide (CID 99852270) is 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cn[nH]c2C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide?
The InChIKey is WDHWNFSYITYKNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-9-7-14(12(4)21-9)22(19,20)17-6-5-15-10(2)13-8-16-18-11(13)3/h7-8,10,15,17H,5-6H2,1-4H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 99852270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).