2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide

C12H22N2O2S2 — CID 114174631

IUPAC2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C12H22N2O2S2/c1-5-12(3,6-2)14-18(15,16)11-7-8-17-10(11)9-13-4/h7-8,13-14H,5-6,9H2,1-4H3
InChIKeyNQKZCALVOWVCSK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.32
Rot. Bonds7

About 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide (PubChem CID 114174631) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
PubChem CID114174631
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C12H22N2O2S2/c1-5-12(3,6-2)14-18(15,16)11-7-8-17-10(11)9-13-4/h7-8,13-14H,5-6,9H2,1-4H3
InChIKeyNQKZCALVOWVCSK-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 64551364
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide (CID 114174631) is 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccsc1CNC.
What is the InChIKey of 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide?
The InChIKey is NQKZCALVOWVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-5-12(3,6-2)14-18(15,16)11-7-8-17-10(11)9-13-4/h7-8,13-14H,5-6,9H2,1-4H3.
What are the key properties of 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114174631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).