5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide

C12H22N2O3S2 — CID 106085403

IUPAC5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H22N2O3S2/c1-9(2)8-17-5-4-14-19(15,16)12-6-11(7-13)18-10(12)3/h6,9,14H,4-5,7-8,13H2,1-3H3
InChIKeyHUVRWKNNHPTTCI-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.47
Rot. Bonds8

About 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide (PubChem CID 106085403) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
PubChem CID106085403
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCOCC(C)C
InChIInChI=1S/C12H22N2O3S2/c1-9(2)8-17-5-4-14-19(15,16)12-6-11(7-13)18-10(12)3/h6,9,14H,4-5,7-8,13H2,1-3H3
InChIKeyHUVRWKNNHPTTCI-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.47
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-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
CID 38256658
5-(aminomethyl)-N-(2-ethoxypropyl)-2-methylthiophene-3-sulfonamide
CID 106078844
5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106020201
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077528
3-amino-5-bromo-2-methyl-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 114380334
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylpropyl)thiophene-3-sulfonamide
CID 106015870
4-methyl-3-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588864
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide (CID 106085403) is 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCCOCC(C)C.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
The InChIKey is HUVRWKNNHPTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-9(2)8-17-5-4-14-19(15,16)12-6-11(7-13)18-10(12)3/h6,9,14H,4-5,7-8,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106085403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).