5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide

C13H22N2O3S2 — CID 106094400

IUPAC5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCCO2)sc1CN
InChIInChI=1S/C13H22N2O3S2/c1-10-8-13(19-12(10)9-14)20(16,17)15-6-5-11-4-2-3-7-18-11/h8,11,15H,2-7,9,14H2,1H3
InChIKeyFRVSJQKWYHPLHQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.75
Rot. Bonds6

About 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106094400) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106094400
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCCO2)sc1CN
InChIInChI=1S/C13H22N2O3S2/c1-10-8-13(19-12(10)9-14)20(16,17)15-6-5-11-4-2-3-7-18-11/h8,11,15H,2-7,9,14H2,1H3
InChIKeyFRVSJQKWYHPLHQ-UHFFFAOYSA-N
XLogP1.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094372
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 106092484
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide (CID 106094400) is 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC2CCCCO2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is FRVSJQKWYHPLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-8-13(19-12(10)9-14)20(16,17)15-6-5-11-4-2-3-7-18-11/h8,11,15H,2-7,9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106094400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).