N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide

C11H21N3O2S2 — CID 114141864

IUPACN',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C11H21N3O2S2/c1-5-6-12-7-10-11(9(2)8-17-10)18(15,16)13-14(3)4/h8,12-13H,5-7H2,1-4H3
InChIKeyOBGIOECBBCKTLP-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.31
Rot. Bonds7

About N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide

N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide (PubChem CID 114141864) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide.

Molecular Properties

Compound NameN',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
PubChem CID114141864
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C11H21N3O2S2/c1-5-6-12-7-10-11(9(2)8-17-10)18(15,16)13-14(3)4/h8,12-13H,5-7H2,1-4H3
InChIKeyOBGIOECBBCKTLP-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
N-[[3-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]propan-1-amine
CID 102754369

Frequently Asked Questions

What is the IUPAC name of N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide?
The IUPAC name of N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide (CID 114141864) is N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide.
What is the SMILES notation for N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide?
The canonical SMILES for N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide is CCCNCc1scc(C)c1S(=O)(=O)NN(C)C.
What is the InChIKey of N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide?
The InChIKey is OBGIOECBBCKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-5-6-12-7-10-11(9(2)8-17-10)18(15,16)13-14(3)4/h8,12-13H,5-7H2,1-4H3.
What are the key properties of N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide?
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide has a molecular weight of 291.44 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide is sourced from PubChem (CID 114141864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).