3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 61140502

IUPAC3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-7-8-14(19-10)11(2)16(3)20(17,18)13-6-4-5-12(15)9-13/h4-9,11H,15H2,1-3H3
InChIKeyIZQPHQXMFLGYIE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 61140502) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID61140502
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-7-8-14(19-10)11(2)16(3)20(17,18)13-6-4-5-12(15)9-13/h4-9,11H,15H2,1-3H3
InChIKeyIZQPHQXMFLGYIE-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106611181
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140693
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043
2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 106591109
5-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61028042
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
CID 54877273
3-[S-(diethylamino)-N-propan-2-ylsulfonimidoyl]aniline
CID 165458103
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
3-(2-fluoropropylsulfonyl)aniline
CID 84682679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 61140502) is 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)N(C)S(=O)(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is IZQPHQXMFLGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-7-8-14(19-10)11(2)16(3)20(17,18)13-6-4-5-12(15)9-13/h4-9,11H,15H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61140502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).